SCHEMBL9506889

SCHEMBL9506889

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC(O)CN(CCP(=O)(O)O)C(=O)CCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.52
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.46
PLA2G2C Q5R387 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LPAR3 Q9UBY5 4/20 0.42
LPAR1 Q92633 3/20 0.42
P2RY10 O00398 1/20 0.42
ENPP2 Q13822 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
LPAR2 Q9HBW0 2/20 0.40
LPAR6 P43657 1/20 0.40
LPAR4 Q99677 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL2639401 1.00 LPAR5 (0.52) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL9508410 0.90 PLA2G2D (0.46) LPAR5HTTPLA2G2CLPAR3LPAR1
SCHEMBL5180047 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL5604280 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL10601287 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL2497008 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL5180698 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL9417254 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL8536163 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2
SCHEMBL5179103 0.86 USP2 (0.53) LPAR5HTTUSP2PLA2G2CCYP1A2

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