SCHEMBL3986182

SCHEMBL3986182

CCCCCCCCCCNCCC(=O)[O-].[Na+]

nearest known ligand 0.57

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 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.56
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
GPR84 Q9NQS5 1/20 0.50
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
FABP3 P05413 5/20 0.48
S1PR5 Q9H228 1/20 0.48
FFAR3 O14843 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
NFKB1 P19838 1/20 0.47

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
SCHEMBL25240427 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25255737 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25232579 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25243757 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25246688 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25246807 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25253609 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25211845 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL25245607 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2
SCHEMBL14783211 1.00 CA1 (0.56) CA1ALDH1A1TSHRGPR84S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118338888-A Surfactant composition for cosmetic material and cosmetic material 三洋化成工业株式会社 2024-07-12 CN disclosed
WO-2023100459-A1 SURFACTANT COMPOSITION FOR COSMETIC AND COSMETIC 三洋化成工業株式会社 2023-06-08 WO disclosed
US-20180187129-A1 ACID DETERGENT DELAVAL HOLDING AB (SE) 2018-07-05 US disclosed
EP-3320070-A1 ACID DETERGENT DeLaval Holding AB (SE) 2018-05-16 EP disclosed
WO-2017007416-A1 ACID DETERGENT DELAVAL HOLDING AB (SE) 2017-01-12 WO disclosed
EP-1791941-B1 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME DELAVAL HOLDING AB (SE) 2013-03-13 EP disclosed
US-7501027-B2 Non-chlorinated concentrated all-in-one acid detergent and method for using the same DELAVAL HOLDING AB (US) 2009-03-10 US disclosed
US-7494963-B2 Non-chlorinated concentrated all-in-one acid detergent and method for using the same DELAVAL HOLDING AB (US) 2009-02-24 US disclosed
US-20080015134-A1 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME AHMED FAHIM U 2008-01-17 US disclosed
EP-1791941-A2 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME DeLaval Holding AB (SE) 2007-06-06 EP disclosed
WO-2006020608-A2 NON-CHLORINATED CONCENTRATED ALL-IN-ONE ACID DETERGENT AND METHOD FOR USING THE SAME DELAVAL HOLDING AB (SE) 2006-02-23 WO disclosed
US-20060035808-A1 Non-chlorinated concentrated all-in-one acid detergent and method for using the same DELAVAL HOLDING AB (SE) 2006-02-16 US disclosed
EP-0099259-A1 Process for producing surface-treated ferromagnetic particles KONICA CORPORATION (JP) 1984-01-25 EP disclosed