SCHEMBL3706745

SCHEMBL3706745

Cc1noc(-c2ccc(Cc3cccc(C(=O)O)c3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.49
LPAR3 Q9UBY5 3/20 0.49
LPAR2 Q9HBW0 2/20 0.49
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
SCN9A Q15858 4/20 0.41
SCN5A Q14524 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL3706641 0.91 LPAR1 (0.49) LPAR1LPAR3LPAR2IP6K1IP6K3
SCHEMBL3711135 0.90 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2336149 0.90 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3701996 0.88 NR4A2 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3700512 0.88 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3704162 0.87 LPAR1 (0.63) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3708503 0.87 LPAR1 (0.45) LPAR1LPAR3LPAR2IP6K1IP6K3
SCHEMBL2335320 0.87 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL1246240 0.87 SCN9A (0.54) SCN9ASCN5AMAPTLMNA
SCHEMBL3714247 0.86 LPAR1 (0.46) 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