SCHEMBL4078169

SCHEMBL4078169

NCc1cc(CC(=O)O)ccc1Oc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.55
PPARA Q07869 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
ALDH1A1 P00352 1/20 0.52
FABP2 P12104 1/20 0.52
PTGDR2 Q9Y5Y4 10/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 1/20 0.50
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL2982849 0.91 GAA (0.55) MCHR1PPARAGAASMN1; SMN2PPARG
SCHEMBL2981095 0.88 HTT (0.63) MCHR1PPARAGAASMN1; SMN2PPARG
SCHEMBL2982709 0.88 PTGDR2 (0.60) PPARAGAASMN1; SMN2PPARGPPARD
SCHEMBL2987871 0.87 PPARA (0.52) MCHR1PPARAGAASMN1; SMN2PPARG
SCHEMBL2991855 0.86 GAA (0.54) MCHR1PPARAGAASMN1; SMN2PPARG
SCHEMBL2988631 0.86 GAA (0.54) MCHR1PPARAGAASMN1; SMN2PPARG
SCHEMBL2984926 0.86 GAA (0.56) MCHR1PPARAGAASMN1; SMN2PPARG
SCHEMBL2981219 0.85 PPARA (0.52) PPARAGAASMN1; SMN2PPARGPPARD
SCHEMBL2989942 0.85 GAA (0.71) PPARAGAASMN1; SMN2PPARGPPARD
SCHEMBL2983607 0.84 HTT (0.51) PPARAGAASMN1; SMN2PPARGPPARD

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-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO disclosed