SCHEMBL5126360

SCHEMBL5126360

CN(Cc1cc(CC(=O)OC(C)(C)C)ccc1Oc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FABP2 P12104 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.45
PTGDR2 Q9Y5Y4 7/20 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
LMNA P02545 1/20 0.40
MCHR1 Q99705 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 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
SCHEMBL2986505 0.91 HTT (0.58) PPARASMN1; SMN2ALDH1A1FABP2PPARG
SCHEMBL2983607 0.89 HTT (0.51) PPARASMN1; SMN2ALDH1A1FABP2PPARG
SCHEMBL2987871 0.87 PPARA (0.52) PPARASMN1; SMN2ALDH1A1FABP2PPARG
SCHEMBL5126359 0.85 PPARA (0.47) PPARASMN1; SMN2ALDH1A1FABP2PPARG
SCHEMBL5128416 0.83 SLC6A4 (0.43) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL5132543 0.83 SLC6A4 (0.40)
SCHEMBL2982220 0.81 PPARA (0.62) PPARASMN1; SMN2ALDH1A1FABP2PPARG
SCHEMBL11982028 0.81 NPC1 (0.41) PPARASMN1; SMN2ALDH1A1HTTPTGDR2
SCHEMBL2986695 0.81 PTGDR2 (0.54) PPARASMN1; SMN2ALDH1A1FABP2PPARG
SCHEMBL2983975 0.80 MAPT (0.55) PPARASMN1; SMN2ALDH1A1FABP2PPARG

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