SCHEMBL2333490

SCHEMBL2333490

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.56
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 2/20 0.52
MAPT P10636 1/20 0.42
RXRA P19793 5/20 0.40
RXRB P28702 5/20 0.40
RXRG P48443 5/20 0.40
ENPP2 Q13822 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MGLL Q99685 2/20 0.38
THRB P10828 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38

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
SCHEMBL2337996 0.92 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTHDAC1
SCHEMBL2341771 0.89 LPAR1 (0.60) LPAR1LPAR3LPAR2MAPTENPP2
SCHEMBL1286658 0.87 LPAR1 (0.68) LPAR1LPAR3LPAR2MAPTENPP2
SCHEMBL2761503 0.87 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTFFAR4
SCHEMBL2338531 0.87 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTENPP2
SCHEMBL2761308 0.86 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTFFAR4
SCHEMBL1247197 0.86 NTRK1 (0.41) LPAR1RXRARXRBRXRGENPP2
SCHEMBL2635833 0.86 LPAR1 (0.56) LPAR1LPAR3LPAR2MAPTMGLL
SCHEMBL2761438 0.84 LPAR1 (0.39) LPAR1LPAR3LPAR2MAPTHDAC1
SCHEMBL3714449 0.84 LPAR1 (0.58) LPAR1LPAR3LPAR2MAPTENPP2

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 3 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 disclosed