SCHEMBL3277793

SCHEMBL3277793

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

nearest known ligand 0.48

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 14)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.48
CA2 known ✓ P00918 3/20 0.47
CA12 known ✓ O43570 1/20 0.37
DNM1 Q05193 3/20 0.40
GPR84 Q9NQS5 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
GGPS1 O95749 3/20 0.39
ACE2 Q9BYF1 1/20 0.38
CA9 Q16790 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL3260570 0.98 CA1 (0.50) CA1CA2DNM1GPR84CES2
SCHEMBL861850 0.98 CA1 (0.50) CA1CA2DNM1GPR84CES2
Potassium Ion SCHEMBL29216578 0.96 CA1 (0.46) CA1CA2DNM1CES2CES1
SCHEMBL1225942 0.83 CA1 (0.50) CA1CA2DNM1GPR84CES2
SCHEMBL1249777 0.83 CA1 (0.50) CA1CA2DNM1GPR84CES2
SCHEMBL7500724 0.81 ACE2 (0.44) DNM1GPR84GGPS1ACE2
SCHEMBL2175914 0.81 ACE2 (0.44) DNM1GPR84GGPS1ACE2
SCHEMBL5495146 0.81 ACE2 (0.44) DNM1GPR84GGPS1ACE2
SCHEMBL7500730 0.81 ACE2 (0.44) DNM1GPR84GGPS1ACE2
SCHEMBL11442609 0.81 ACE2 (0.44) DNM1GPR84GGPS1ACE2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606685-A Water-soluble temper rolling liquid composition for non-degreased annealed steel sheet 大同化学株式会社 2023-08-18 CN claimed
CN-119174763-A Composition for inhibiting plaque formation 盛势达(瑞士)有限公司 2024-12-24 CN disclosed
CN-118806618-A Hair cleansing compositions 日本乐敦制药株式会社 2024-10-22 CN disclosed
CN-111201009-B Hair cleansing compositions 日本乐敦制药株式会社 2024-08-16 CN disclosed
CN-113348196-B Alkylene oxide derivative, antifoaming agent, lubricant, cosmetic base material, and cosmetic and cleaning agent composition containing the same 日油株式会社 2023-09-15 CN disclosed
CN-116606685-A Water-soluble temper rolling liquid composition for non-degreased annealed steel sheet 大同化学株式会社 2023-08-18 CN disclosed
US-7700123-B2 Cosmetics TECHNOBLE CO., LTD. (JP) 2010-04-20 US disclosed
US-20080145905-A1 COSMETICS SAWAKI SHIGERU 2008-06-19 US disclosed
EP-1366736-B1 Use of lactic acid bacteria fermented rice in cosmetics or as emulsifier TECHNOBLE CO LTD (JP) 2008-06-11 EP disclosed
EP-1366736-A1 COSMETICS Technoble Co., Ltd. (JP) 2003-12-03 EP disclosed