SCHEMBL1728405

SCHEMBL1728405

CCCCCCCCCCCCCCCCCCN(C)CCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.46

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
FDPS known ✓ P14324 1/20 0.39
PDE3A known ✓ Q14432 1/20 0.39
THRA known ✓ P10827 1/20 0.37
THRB known ✓ P10828 1/20 0.37
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
DNM1 Q05193 3/20 0.41
RECQL P46063 2/20 0.41
EPHX2 P34913 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
GGPS1 O95749 4/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PHF8 Q9UPP1 1/20 0.39

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
SCHEMBL625084 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL30343169 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL713063 1.00 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL6402056 0.98 S1PR2 (0.43) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL8388882 0.90 EPHX2 (0.52) S1PR2S1PR1S1PR3S1PR5EPHX2
SCHEMBL82226 0.90 EPHX2 (0.52) S1PR2S1PR1S1PR3S1PR5EPHX2
Potassium Ion SCHEMBL1820922 0.87 EPHX2 (0.49) EPHX2FAAH
Taurine SCHEMBL31682421 0.86 LMNA (0.40) S1PR2S1PR1S1PR3S1PR5RECQL
Taurine SCHEMBL30343181 0.83 S1PR2 (0.40) S1PR2S1PR1S1PR3S1PR5RECQL
SCHEMBL2925349 0.78 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867664-B1 COSMETIC FOR EYELASH KAO CORP (JP) 2011-11-30 EP claimed
JP-2090936-A None JP disclosed
CN-113811283-B Liquid oil-in-water composition 株式会社高丝 2025-01-28 CN disclosed
CN-115243666-A Ceramide proliferation promoter 高砂香料工业株式会社 2022-10-25 CN disclosed
JP-H0290936-A OIL-IN-WATER TYPE EMULSION COMPOSITION KOBAYASHI KOSE CO LTD 1990-03-30 JP disclosed