SCHEMBL6242533

SCHEMBL6242533

CCC(Oc1ccc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)cc1C)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.74
PPARA Q07869 16/20 0.74
PPARG P37231 8/20 0.74
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
MAPT P10636 1/20 0.74
HPGD P15428 1/20 0.74
ALOX15 P16050 1/20 0.74
KMT2A Q03164 1/20 0.74
HSD17B10 Q99714 1/20 0.74

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
SCHEMBL6242977 0.91 PPARD (0.61) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL2167820 0.88 PPARD (0.81) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL6239835 0.87 PPARD (0.66) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL6236335 0.87 PPARD (0.70) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL6237463 0.86 PPARD (0.63) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL29376887 0.85 PPARD (1.00) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL29422488 0.85 PPARD (1.00) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL2064674 0.85 PPARD (1.00) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL20482074 0.85 PPARD (0.78) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL6234859 0.84 PPARD (0.59) PPARDPPARAPPARGMEN1ALDH1A1

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
EP-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP claimed