SCHEMBL4729537

SCHEMBL4729537

Cc1cc(CC=NOCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.72
PPARA Q07869 13/20 0.72
PPARG P37231 8/20 0.72
FFAR1 O14842 1/20 0.63
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL4727949 0.86 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL4726355 0.85 PPARD (0.66) PPARDPPARAPPARGFFAR1
SCHEMBL5656255 0.84 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL6236634 0.83 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL4726295 0.83 PPARD (0.77) PPARDPPARAPPARGFFAR1
SCHEMBL5655979 0.83 PPARD (0.89) PPARDPPARAPPARGFFAR1
SCHEMBL4728625 0.82 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL4728629 0.82 PPARD (1.00) PPARDPPARAPPARGFFAR1
SCHEMBL5656300 0.82 PPARD (0.81) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4727711 0.81 PPARD (0.67) PPARDPPARAPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed