SCHEMBL1246439

SCHEMBL1246439

CCOC(=O)N(c1ccc(Cl)cc1F)c1c(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)noc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.37
FFAR4 Q5NUL3 2/20 0.36
NR1H4 Q96RI1 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MDM2 Q00987 1/20 0.34
GHSR Q92847 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL1245262 0.91 THRB (0.37) FFAR4ALDH1A1MEN1KMT2ADGAT1
SCHEMBL1247301 0.91 PPARD (0.41) PPARDNR1H4ALDH1A1GPBAR1MEN1
SCHEMBL1247343 0.89 PTGS2 (0.42) PPARDFFAR4MEN1KMT2A
SCHEMBL1247624 0.88 THRB (0.37) FFAR4ALDH1A1GPBAR1MEN1KMT2A
SCHEMBL1245270 0.87 KDM4E (0.44) PPARDNR1H4SCN9AALDH1A1GPBAR1
SCHEMBL2337495 0.86 LPAR1 (0.40) PPARDFFAR4NR1H4PPARGPPARA
SCHEMBL1247569 0.85 SCN9A (0.39) PPARDNR1H4SCN9AMAPTDGAT1
SCHEMBL1245358 0.84 NR1H4 (0.42) PPARDNR1H4SCN9AALDH1A1GPBAR1
SCHEMBL1247291 0.83 SCN9A (0.41) PPARDNR1H4SCN9AMAPTDGAT1
SCHEMBL1246323 0.82 PPARD (0.39) PPARDNR1H4PPARGPPARAALDH1A1

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