SCHEMBL6162923

SCHEMBL6162923

Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)cc2COc2c(C)ccc(C)c2C)ccc1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.62
PPARA Q07869 7/20 0.61
PPARG P37231 3/20 0.61
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL5861832 0.90 PPARD (0.67) PPARDPPARAPPARG
SCHEMBL5860673 0.89 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL5862747 0.88 PPARD (0.69) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5860628 0.87 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL5861865 0.87 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL5860831 0.85 PPARD (0.72) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5861907 0.84 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL5862777 0.84 PPARD (0.64) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5861830 0.83 PPARD (0.64) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL5861975 0.83 PPARD (0.69) 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 disclosed