SCHEMBL2338263

SCHEMBL2338263

Cc1noc(-c2ccc(-c3ccc(F)c(CC(=O)O)c3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.53
LPAR3 Q9UBY5 3/20 0.53
LPAR2 Q9HBW0 2/20 0.53
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 6/20 0.40
SCN5A Q14524 4/20 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
FFAR1 O14842 2/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX5 P09917 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
SCHEMBL3707179 0.95 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3715787 0.92 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2338268 0.88 LPAR1 (0.68) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2336526 0.88 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2335501 0.87 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3717659 0.87 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2342594 0.87 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3714467 0.86 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3709240 0.85 LPAR1 (0.58) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2335542 0.85 LPAR1 (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP claimed
WO-2010077883-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 claimed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed