SCHEMBL3711039

SCHEMBL3711039

Cc1noc(-c2cccc(-c3ccccc3CC(=O)O)c2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.49
LPAR3 Q9UBY5 3/20 0.49
LPAR2 Q9HBW0 2/20 0.49
ENPP2 Q13822 1/20 0.45
SCN9A Q15858 3/20 0.43
SCN5A Q14524 2/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARD Q03181 2/20 0.39
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
HPGD P15428 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36

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
SCHEMBL2342594 0.92 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2SCN9A
SCHEMBL3704851 0.92 LPAR1 (0.42) LPAR1LPAR3LPAR2ENPP2SCN9A
SCHEMBL3708661 0.90 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2SCN9A
SCHEMBL3711311 0.90 LPAR1 (0.43) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714467 0.89 LPAR1 (0.61) LPAR1LPAR3LPAR2ENPP2SCN9A
SCHEMBL3707179 0.88 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3712289 0.88 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3709242 0.87 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3709683 0.87 SCN9A (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3705514 0.87 LPAR1 (0.52) LPAR1LPAR3LPAR2ENPP2SCN9A

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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed