SCHEMBL23001085

SCHEMBL23001085

CCCCCCCC/C=C/CCCCCCCC(=O)OP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.56
P2RY10 O00398 4/20 0.53
GPR34 Q9UPC5 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LPAR1 Q92633 5/20 0.49
ENPP2 Q13822 3/20 0.49
LPAR4 Q99677 2/20 0.49
LPAR5 Q9H1C0 2/20 0.49
LPAR2 Q9HBW0 2/20 0.49
LPAR3 Q9UBY5 2/20 0.49
CES2 O00748 1/20 0.49
LPAR6 P43657 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
SLC6A5 Q9Y345 1/20 0.48

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
SCHEMBL20472539 1.00 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL9027639 1.00 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL515226 1.00 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL52780 1.00 FABP3 (0.56) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL16180754 0.96 FABP3 (0.53) FABP3P2RY10GPR34ALDH1A1LPAR1
SCHEMBL5190825 0.92 FABP3 (0.62) FABP3P2RY10GPR34
SCHEMBL5475892 0.92 FABP3 (0.62) FABP3P2RY10GPR34
SCHEMBL1643923 0.92 FABP3 (0.62) FABP3P2RY10GPR34
SCHEMBL23166803 0.89 ALDH1A1 (0.53) FABP3ALDH1A1LPAR1ENPP2LPAR4
SCHEMBL23091273 0.89 ALDH1A1 (0.53) FABP3ALDH1A1LPAR1ENPP2LPAR4

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed