SCHEMBL6166408

SCHEMBL6166408

Cc1cc(C)cc(SCc2oc(-c3ccc(C(F)(F)F)cc3)cc2CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.41
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2A7 P20853 1/20 0.36
CYP3A7 P24462 1/20 0.36
CYP2F1 P24903 1/20 0.36
CYP2C18 P33260 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2J2 P51589 1/20 0.36

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
SCHEMBL6167231 0.84 PPARD (0.47) PPARDPPARAPPARGAR
SCHEMBL3107826 0.83 CYP1A1 (0.40) PPARDPPARAPPARGCYP1A1CYP1A2
SCHEMBL6167228 0.82 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL5861080 0.80 ERAP1 (0.39) PPARDPPARACYP1A1CYP1A2CYP2E1
SCHEMBL5860680 0.79 PPARD (0.68) PPARDPPARAPPARG
SCHEMBL3111585 0.79 CYP1A1 (0.43) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6164826 0.77 CYP1A1 (0.34) PPARDPPARAPPARGCYP1A1CYP1A2
SCHEMBL5861896 0.77 FFAR1 (0.42) PPARDPPARAPPARGCYP1A1CYP1A2
SCHEMBL5861211 0.76 CYP1A1 (0.41) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL5860825 0.76 PPARD (0.51) 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