SCHEMBL6635982

SCHEMBL6635982

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(OCC(=O)O)c2ccn(C)c12.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(OCC(=O)O)c2ccsc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.59
PPARA Q07869 12/20 0.59
PPARG P37231 6/20 0.59
FFAR1 O14842 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6859322 0.93 PPARD (0.67) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6622885 0.93 PPARD (0.68) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6637432 0.86 PPARD (0.58) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6634120 0.81 PPARD (0.69) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6621077 0.81 PPARD (0.71) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6621320 0.78 PPARD (0.67) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6621291 0.78 PPARD (0.69) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6623154 0.78 PPARD (0.67) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL6858900 0.78 PPARD (0.67) PPARDPPARAPPARGFFAR1MEN1
SCHEMBL4676281 0.77 PPARD (0.79) PPARDPPARAPPARGFFAR1MEN1

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-1485091-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-15 EP disclosed
WO-2003074052-A1 THIAZOLE AND OXAZOLE DERIVATIVES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 WO disclosed