SCHEMBL3707274

SCHEMBL3707274

Cc1noc(-c2cccc(-c3cncc(C(=O)O)c3)c2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
SCN9A Q15858 3/20 0.42
SCN5A Q14524 2/20 0.42
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SCN2A Q99250 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
CHRNA7 P36544 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL3712572 0.93 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3708503 0.93 LPAR1 (0.45) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3702771 0.93 SCN9A (0.41) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2336149 0.89 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3705514 0.89 LPAR1 (0.52) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714396 0.87 SCN9A (0.44) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3705737 0.87 KDM4C (0.43) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707763 0.86 LPAR1 (0.45) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714489 0.85 LPAR1 (0.43) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707636 0.85 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A

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