SCHEMBL4746623

SCHEMBL4746623

COC(=O)[C@@H]1COCCN1Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.49
PPARA Q07869 7/20 0.49
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOB P27338 1/20 0.45
PPARD Q03181 3/20 0.44
POLB P06746 2/20 0.43
FFAR1 O14842 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL4748552 0.93 PPARG (0.49) PPARGPPARACYP2C9
SCHEMBL4743673 0.92 PPARG (0.49) PPARGPPARACYP2C9KCNH2MAOB
SCHEMBL4748410 0.92 PPARG (0.49) PPARGPPARACYP2C9KCNH2MAOB
SCHEMBL4748033 0.91 PPARG (0.54) PPARGPPARAMAOBPOLBFFAR1
SCHEMBL4747967 0.91 PPARG (0.53) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL4747043 0.91 PPARG (0.50) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL4747044 0.91 PPARG (0.50) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL4746249 0.90 FFAR1 (0.55) PPARGPPARAMAOBPOLBFFAR1
SCHEMBL4788139 0.89 ALDH1A1 (0.51) PPARGPPARACYP2C9KCNH2PPARD
SCHEMBL4744558 0.89 ALDH1A1 (0.51) PPARGPPARACYP2C9KCNH2PPARD

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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed