SCHEMBL6168005

SCHEMBL6168005

Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)oc2CN(C)Cc2cccnc2)ccc1[O]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.39
PPARA Q07869 8/20 0.39
PPARG P37231 4/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6168010 0.91 PPARD (0.40) PPARDPPARAPPARGHIF1AEPAS1
SCHEMBL6164704 0.87 PPARD (0.56) PPARDPPARAPPARG
Hydrochloric Acid SCHEMBL5861139 0.87 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL6167938 0.85 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL5860888 0.84 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL6166173 0.80 HIF1A (0.46) HIF1AEPAS1MAPK1CYP3A4CYP2C19
SCHEMBL6164052 0.79 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL6164370 0.78 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL6167418 0.77 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL6167228 0.77 PPARD (0.49) PPARDPPARAPPARG

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-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP claimed