SCHEMBL3704162

SCHEMBL3704162

Cc1noc(-c2ccc(Cc3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.63
LPAR3 Q9UBY5 3/20 0.63
LPAR2 Q9HBW0 2/20 0.63
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 3/20 0.42
SCN5A Q14524 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
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
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL2338268 0.96 LPAR1 (0.68) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3711135 0.94 LPAR1 (0.57) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3709240 0.94 LPAR1 (0.58) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3700613 0.93 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3707585 0.91 LPAR1 (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3702564 0.91 LPAR1 (0.59) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3714467 0.91 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3712525 0.90 LPAR1 (0.57) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3712768 0.90 LPAR1 (0.58) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3702336 0.90 LPAR1 (0.60) LPAR1LPAR3LPAR2MAPTKDM4E

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