SCHEMBL1246477

SCHEMBL1246477

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(Oc3ccc(CC(=O)O)cc3)cc2)noc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.42
PPARD Q03181 6/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.40
FABP1 P07148 1/20 0.39
FABP4 P15090 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1245358 0.95 NR1H4 (0.42) NR1H4PPARDALDH1A1MAPTFABP1
SCHEMBL1245176 0.93 NR1H4 (0.40) NR1H4PPARDALDH1A1MAPTFABP1
SCHEMBL1245136 0.93 NR1H4 (0.38) NR1H4PPARDALDH1A1MAPTPTGDR2
SCHEMBL1245335 0.92 NR1H4 (0.50) NR1H4PPARDMAPTFABP1FABP4
SCHEMBL1246476 0.90 NR1H4 (0.42) NR1H4PPARDALDH1A1MAPTFABP1
SCHEMBL1246467 0.90 NR1H4 (0.43) NR1H4PPARDFABP1FABP4GPBAR1
SCHEMBL1247804 0.88 NPSR1 (0.37) NR1H4PPARDALDH1A1MAPTPTGDR2
SCHEMBL1246346 0.87 SCN9A (0.38) NR1H4PPARDALDH1A1MAPTGPBAR1
SCHEMBL1247748 0.87 SCN9A (0.39) NR1H4PPARDALDH1A1MAPTFABP1
SCHEMBL1245294 0.87 GPBAR1 (0.37) ALDH1A1MAPTPTGDR2GPBAR1

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