SCHEMBL4739607

SCHEMBL4739607

Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C(=O)CCc1ccc(O)c(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.44
PPARG P37231 6/20 0.43
PPARA Q07869 6/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
IKBKB O14920 1/20 0.41
LMNA P02545 1/20 0.41
PTPN1 P18031 3/20 0.38
AHR P35869 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL4785998 0.83 PPARD (0.43) PPARDPPARGPPARA
SCHEMBL4739616 0.82 ALDH1A1 (0.55) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL14146342 0.81 PPARD (0.40) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4739591 0.77 PPARD (0.41) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4739594 0.77 PPARD (0.41) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL217940 0.77 FFAR1 (0.41)
SCHEMBL4737420 0.76 MMP1 (0.48) ALDH1A1PTPN1MAPT
SCHEMBL4473430 0.76 PPARD (0.55) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4739626 0.73 IKBKB (0.58) PPARDPPARGPPARAALDH1A1KDM4E
SCHEMBL4740775 0.73 MAPT (0.44) PPARDPPARGPPARAALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed