SCHEMBL9506931

SCHEMBL9506931

CCCCCCCCCCCCCCCCOCC(CN(CCS(=O)(=O)O)C(=O)CCCCCCCCCCCCCCC)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 5/20 0.38
TLR2 O60603 2/20 0.36
LPAR5 Q9H1C0 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL9700924 0.91 EPHX2 (0.40) CYP3A4
SCHEMBL9508225 0.88 LPAR5 (0.45) PLA2G2CTLR2LPAR5LPAR1LPAR3
SCHEMBL9510777 0.86 PLA2G2C (0.41) PLA2G2CTLR2LPAR5LPAR1LPAR3
SCHEMBL9701883 0.83 PLA2G2C (0.38) PLA2G2CTLR2LPAR5USP2SPHK1
SCHEMBL2502289 0.76 FFAR4 (0.46)
SCHEMBL7784431 0.76 FFAR4 (0.46)
SCHEMBL2493471 0.76 LPAR5 (0.47) PLA2G2CLPAR5LPAR1LPAR3USP2
SCHEMBL6227329 0.75 LMNA (0.47) TLR2CES2
SCHEMBL14089279 0.75 LMNA (0.47) TLR2CES2
SCHEMBL6233671 0.75 LMNA (0.47) TLR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555250-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1993-08-18 EP disclosed
WO-1992006982-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1992-04-30 WO disclosed