SCHEMBL438051

SCHEMBL438051

CCCCCN[C@@H](CCC(=O)O)C(=O)[O-].[Na+]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.43
CA2 known ✓ P00918 1/20 0.42
PPARG known ✓ P37231 6/20 0.41
PDE4A known ✓ P27815 1/20 0.41
PDE3A known ✓ Q14432 1/20 0.41
NOD1 Q9Y239 1/20 0.45
PLA2G2A P14555 2/20 0.44
AKR1B1 P15121 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
GPR84 Q9NQS5 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1239363 0.98 NOD1 (0.47) NOD1PLA2G2APLA2G10CA2PLA2G2C
SCHEMBL29480079 0.98 NOD1 (0.47) NOD1PLA2G2APLA2G10CA2PLA2G2C
SCHEMBL3114525 0.98 NOD1 (0.47) NOD1PLA2G2APLA2G10CA2PLA2G2C
SCHEMBL28340094 0.98 NOD1 (0.47) NOD1PLA2G2APLA2G10CA2PLA2G2C
SCHEMBL8652555 0.97 NOD1 (0.45) NOD1PLA2G2AAKR1B1PLA2G10PLA2G2C
Potassium Ion SCHEMBL9940085 0.97 NOD1 (0.45) NOD1PLA2G2AAKR1B1PLA2G10PLA2G2C
SCHEMBL16674092 0.95 NOD1 (0.47) NOD1PLA2G2APLA2G10PLA2G2CGPR84
SCHEMBL10893561 0.90 EPHX2 (0.53) PPARGPPARDPPARATDP1FABP4
SCHEMBL438053 0.89 GPR84 (0.51) NOD1CA1CA2GPR84
SCHEMBL438050 0.89 GPR84 (0.51) NOD1CA1CA2GPR84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 483 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585715-A Home care products or formulations 西姆莱斯有限公司 2022-06-03 CN claimed
EP-2823803-B1 Color changing composition in O/W emulsion in the form of oleosomes OREAL (FR) 2019-08-21 EP claimed
WO-2015004631-A1 COLOR CHANGING COMPOSITION IN O/W EMULSION FORM IN THE FORM OF OLEOSOMES L'OREAL (FR) 2015-01-15 WO claimed
EP-2823803-A1 Color changing composition in O/W emulsion in the form of oleosomes L'Oréal (FR) 2015-01-14 EP claimed
US-5843476-A Slimming composition for topical treatment, containing two types of liposomes, and use thereof L'OREAL (FR) 1998-12-01 US claimed
US-5679374-A DISPERSION OF LIPID VESICLES CAPABLE OF PENETRATING INTO LAYERS OF SKIN AND CONTAINING ANTIMICROBIAL AGENTS, N-(1-OXYL-2,2,6,6-TETRAMETHYL-4-PIPERIDYL)-N-DIMETHYL-N-HYDRO XYETHYLAMMONIUM IODIDE, ANTIINFLAMMATORY AGENTS, RETINOL L'OREAL (FR) 1997-10-21 US claimed
US-5637316-A DEEP PENETRATION OF SKIN L'OREAL (FR) 1997-06-10 US claimed
US-5629015-A SUPPRESSION OF FREE RADICALS, DISPERSION OF LIPID VESICLES, DEEP PENETRATION L'OREAL (FR) 1997-05-13 US claimed
US-5614215-A LIPOSOMES, PSORIASIS, ACNE, DERMATITIS, ANTIAGING, ANTIWRINKLING, MOISTURIZERS L'OREAL (FR) 1997-03-25 US claimed
US-5607692-A MIXTURE OF TWO LIPID VESICLE DISPERSIONS: FIRST FOR DEEP LAYER TREATMENT HAS ANTI- OR DE-PIGMENTING AGENT OR TYROSINASE INHIBITOR; SECOND FOR SURFACE LAYER TREATMENT HAS KERATOLYTIC, MOISTURIZING OR PROTECTIVE AGENT L'OREAL (FR) 1997-03-04 US claimed
JP-1075599-A None JP disclosed
JP-10287547-A None JP disclosed
EP-4360612-A1 COSMETIC CLEANSING GEL HAVING HIGH TRANSPARENCY Beiersdorf AG (DE) 2024-05-01 EP disclosed
EP-4355433-A1 SUSPENDING POLYMER COMPOSITION AND METHOD OF USE THEREOF ISP Investments LLC (US) 2024-04-24 EP disclosed
EP-4041412-B1 CLEANSING PREPARATION CONTAINING CAESALPINIA SPINOSA GUM BEIERSDORF AG (DE) 2024-04-24 EP disclosed
EP-0062352-B1 SOAP COMPOSITION MITSUBISHI KASEI CORPORATION (JP) 1986-07-30 EP disclosed
EP-0091237-B1 DETERGENT COMPOSITION AJINOMOTO CO., INC. (JP) 1986-01-08 EP disclosed
US-4478734-A Detergent composition comprising a mixture of an N-acyllysine and anionic surface active agents, possessing unique properties in soft and hard water AJINOMOTO COMPANY INCORPORATED (JP) 1984-10-23 US disclosed
EP-0091237-A1 Detergent composition AJINOMOTO CO., INC. (JP) 1983-10-12 EP disclosed
EP-0062352-A1 Soap composition MITSUBISHI KASEI CORPORATION (JP) 1982-10-13 EP disclosed