SCHEMBL1246476

SCHEMBL1246476

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc3cc(-c4ccc(CC(=O)O)cc4)ccc3c2)noc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.42
FABP1 P07148 1/20 0.39
FABP4 P15090 1/20 0.39
PPARD Q03181 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
MAPT P10636 1/20 0.37
DGAT1 O75907 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37

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
SCHEMBL1246467 0.94 NR1H4 (0.43) NR1H4FABP1FABP4PPARDLPAR1
SCHEMBL1245358 0.94 NR1H4 (0.42) NR1H4FABP1FABP4PPARDALDH1A1
SCHEMBL1246477 0.90 NR1H4 (0.42) NR1H4FABP1FABP4PPARDALDH1A1
SCHEMBL1245176 0.90 NR1H4 (0.40) NR1H4FABP1FABP4PPARDALDH1A1
SCHEMBL1246307 0.90 NR1H4 (0.44) NR1H4PPARDMAPTGPBAR1
SCHEMBL1245335 0.88 NR1H4 (0.50) NR1H4FABP1FABP4PPARDMAPT
SCHEMBL1247365 0.88 LPAR1 (0.42) NR1H4ALDH1A1LPAR1LPAR2LPAR3
SCHEMBL1246465 0.87 NR1H4 (0.45) NR1H4FABP1PPARDALDH1A1MAPT
SCHEMBL3702333 0.87 LPAR1 (0.44) NR1H4FABP1FABP4PPARDALDH1A1
SCHEMBL1246346 0.86 SCN9A (0.38) NR1H4PPARDALDH1A1MAPTGPBAR1

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-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