SCHEMBL9700871

SCHEMBL9700871

CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(CCP(=O)(O)O)CC(COCCCCCCCCCCCCCCCC)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
FABP3 P05413 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LPAR1 Q92633 3/20 0.42
P2RY10 O00398 2/20 0.42
LPAR3 Q9UBY5 2/20 0.42
DUSP3 P51452 1/20 0.41
PTPN7 P35236 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
F7 P08709 1/20 0.41
CYP19A1 P11511 1/20 0.41
F3 P13726 1/20 0.41
FABP4 P15090 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 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
SCHEMBL9508410 0.90 PLA2G2D (0.46) S1PR1LPAR1LPAR3
SCHEMBL9506992 0.81 LPAR5 (0.43) LPAR1LPAR3
SCHEMBL2639401 0.81 LPAR5 (0.52) S1PR1LPAR1P2RY10LPAR3CYP3A4
SCHEMBL9506889 0.81 LPAR5 (0.52) S1PR1LPAR1P2RY10LPAR3CYP3A4
SCHEMBL9643519 0.79 CNR1 (0.51) P2RY10DUSP3
SCHEMBL9510777 0.77 PLA2G2C (0.41) S1PR1LPAR1LPAR3
SCHEMBL29050264 0.76 P2RY10 (0.49) LPAR1P2RY10LPAR3FFAR1FFAR4
SCHEMBL9509205 0.75 PLA2G2D (0.42) S1PR1LPAR1LPAR3
SCHEMBL9700924 0.75 EPHX2 (0.40) FABP3ALDH1A1DUSP3PTPN7KDM4E
SCHEMBL9460856 0.75 MGLL (0.53) ALDH1A1LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006982-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 1992-04-30 WO disclosed