SCHEMBL4744208

SCHEMBL4744208

O=Cc1ccc(OCCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.59
PPARA Q07869 6/20 0.59
HRH3 Q9Y5N1 1/20 0.40
PTPN1 P18031 1/20 0.39
FFAR1 O14842 1/20 0.38
PPARD Q03181 3/20 0.38
ERBB2 P04626 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 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
SCHEMBL9261947 0.89 PPARG (0.49) PPARGPPARAPTPN1FFAR1PPARD
SCHEMBL4747685 0.85 FFAR1 (0.52) PPARGPPARAHRH3FFAR1
SCHEMBL4748030 0.83 PPARG (0.57) PPARGPPARAHRH3PTPN1FFAR1
SCHEMBL4748565 0.83 PPARG (0.60) PPARGPPARAHRH3PTPN1FFAR1
SCHEMBL4744060 0.78 PPARA (0.62) PPARGPPARAPTPN1PPARD
SCHEMBL6958646 0.77 PPARG (0.42) PPARGPPARAHRH3FFAR1
SCHEMBL4788097 0.76 PPARA (0.56) PPARGPPARAFFAR1
SCHEMBL6956424 0.76 PPARG (0.40) PPARGPPARAHRH3FFAR1
SCHEMBL21331781 0.75 ALDH1A1 (0.53) PPARGPPARAPTPN1PPARDCHRNB2
SCHEMBL9261466 0.75 PPARG (0.47) PPARGPPARAPTPN1FFAR1PPARD

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