SCHEMBL5126359

SCHEMBL5126359

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
ALDH1A1 P00352 2/20 0.47
FABP2 P12104 1/20 0.47
GAA P10253 2/20 0.45
PTGDR2 Q9Y5Y4 7/20 0.43
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
MAPK14 Q16539 1/20 0.40
LMNA P02545 1/20 0.40
PTGDR Q13258 1/20 0.40

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
SCHEMBL2983606 0.89 PPARA (0.49) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL2987871 0.87 PPARA (0.52) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL2986505 0.86 HTT (0.58) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL5126360 0.85 PPARA (0.49) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL5132540 0.84 PTGER4 (0.39) PPARAPPARGPPARDPTGDR2PTGDR
SCHEMBL2983975 0.83 MAPT (0.55) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL5128413 0.83 MTNR1A (0.39) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL2981219 0.81 PPARA (0.52) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL2982220 0.81 PPARA (0.62) PPARASMN1; SMN2PPARGPPARDALDH1A1
SCHEMBL2986695 0.81 PTGDR2 (0.54) PPARASMN1; SMN2PPARGPPARDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed