SCHEMBL1246460

SCHEMBL1246460

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(COc3ccccc3CC(=O)O)cc2)noc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NR1H4 Q96RI1 6/20 0.38
CFD P00746 2/20 0.38
SCN9A Q15858 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
F7 P08709 1/20 0.36
TPSB2 P20231 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCL8 P10145 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1245335 0.89 NR1H4 (0.50) PPARDNR1H4FABP4
SCHEMBL1245294 0.88 GPBAR1 (0.37) SCN9AGPBAR1LMNASMN1; SMN2MEN1
SCHEMBL1245358 0.87 NR1H4 (0.42) PPARDNR1H4SCN9AGPBAR1FABP4
SCHEMBL3707308 0.87 CFD (0.40) PPARDCFDFABP4FABP5FFAR4
SCHEMBL1247132 0.87 GPBAR1 (0.44) GPBAR1LMNANPC1MEN1ALDH1A1
SCHEMBL1245176 0.86 NR1H4 (0.40) PPARDNR1H4SCN9AGPBAR1FABP4
SCHEMBL1247141 0.85 GPBAR1 (0.37) PPARDPPARGPPARANR1H4SCN9A
SCHEMBL1246186 0.84 PTGDR2 (0.38) SCN9AGPBAR1MEN1ALDH1A1HPGD
SCHEMBL1246477 0.84 NR1H4 (0.42) PPARDPPARGPPARANR1H4GPBAR1
SCHEMBL1247748 0.84 SCN9A (0.39) PPARDPPARGPPARANR1H4SCN9A

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