SCHEMBL6237739

SCHEMBL6237739

Cc1[c]c(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.56
PPARA Q07869 9/20 0.56
PPARG P37231 6/20 0.56
FFAR1 O14842 10/20 0.52
CHRM5 P08912 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL15160329 0.78 PPARD (0.61) PPARDPPARAPPARGFFAR1
SCHEMBL6613492 0.78 KDM4E (0.38) PPARDPPARAPPARGFFAR1
SCHEMBL6242514 0.76 PPARD (0.54) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL6239400 0.76 PPARD (0.54) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL15158746 0.76 PPARD (0.58) PPARDPPARAPPARGFFAR1
SCHEMBL6237882 0.76 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL6500900 0.74 PPARD (0.52) PPARDPPARAPPARGFFAR1CHRM5
SCHEMBL5016708 0.74 PPARD (0.52) PPARDPPARAPPARGFFAR1
SCHEMBL11926060 0.74 NPC1 (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL5475700 0.73 PPARD (0.78) PPARDPPARAPPARGFFAR1CHRM5

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