SCHEMBL1245358

SCHEMBL1245358

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)noc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.42
LPAR1 Q92633 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
FABP1 P07148 1/20 0.40
FABP4 P15090 1/20 0.40
GPBAR1 Q8TDU6 4/20 0.39
PPARD Q03181 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.38
PTGS2 P35354 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
SCHEMBL1245176 0.96 NR1H4 (0.40) NR1H4LPAR1LPAR2LPAR3FABP1
SCHEMBL1246477 0.95 NR1H4 (0.42) NR1H4FABP1FABP4GPBAR1PPARD
SCHEMBL1246467 0.95 NR1H4 (0.43) NR1H4LPAR1LPAR2LPAR3FABP1
SCHEMBL1246476 0.94 NR1H4 (0.42) NR1H4LPAR1LPAR2LPAR3FABP1
SCHEMBL1245335 0.92 NR1H4 (0.50) NR1H4FABP1FABP4PPARDMAPT
SCHEMBL1246307 0.92 NR1H4 (0.44) NR1H4GPBAR1PPARDMAPTSCN9A
SCHEMBL1247211 0.91 FFAR4 (0.42) NR1H4FABP1GPBAR1PPARDMAPT
SCHEMBL1246442 0.91 ALDH1A1 (0.39) GPBAR1MAPTALDH1A1HPGDCYP2C19
SCHEMBL1247804 0.91 NPSR1 (0.37) NR1H4LPAR1LPAR2LPAR3GPBAR1
SCHEMBL1247748 0.90 SCN9A (0.39) NR1H4FABP1FABP4GPBAR1PPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
EP-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed