SCHEMBL2335137

SCHEMBL2335137

CCOC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 2/20 0.39
MAPT P10636 4/20 0.39
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
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
LMNA P02545 2/20 0.37
SLC26A6 Q9BXS9 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NLRP3 Q96P20 1/20 0.35
MEN1 O00255 1/20 0.33

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
SCHEMBL2338973 0.91 LPAR1 (0.45) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2339958 0.91 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL3701865 0.86 LPAR1 (0.38) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2335478 0.84 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2335998 0.84 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2340304 0.84 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL3707327 0.83 LPAR1 (0.40) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2335542 0.82 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2292225 0.82 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL2293828 0.82 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTABCC3

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