SCHEMBL3707600

SCHEMBL3707600

Cc1noc(-c2ccc(-c3cncc(CC(=O)O)c3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.60
LPAR3 Q9UBY5 3/20 0.60
LPAR2 Q9HBW0 2/20 0.60
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
ABCB4 P21439 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SCN2A Q99250 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
SCHEMBL3705514 0.94 LPAR1 (0.52) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL2338268 0.91 LPAR1 (0.68) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL2335501 0.91 LPAR1 (0.61) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3712572 0.88 LPAR1 (0.49) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3704162 0.88 LPAR1 (0.63) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3714467 0.87 LPAR1 (0.61) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3702336 0.87 LPAR1 (0.60) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL1246952 0.87 SCN9A (0.52) LPAR1LPAR3LPAR2MAPTSCN9A
SCHEMBL3700613 0.86 LPAR1 (0.61) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3708661 0.86 LPAR1 (0.55) LPAR1LPAR3LPAR2KDM4EMAPT

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