SCHEMBL10693486

SCHEMBL10693486

O=C(O)CC(Cc1ccccc1)c1ccc(Oc2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.58
FNTB P49356 6/20 0.58
PPARG P37231 7/20 0.55
PPARA Q07869 7/20 0.55
PRKCZ Q05513 1/20 0.51
GABBR2 O75899 3/20 0.50
GABBR1 Q9UBS5 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
NFKB1 P19838 1/20 0.50
DRD3 P35462 1/20 0.50
BLM P54132 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 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
SCHEMBL10693064 0.83 PPARG (0.46) FNTAFNTBPPARGPPARA
SCHEMBL10811343 0.80 FNTA (0.64) FNTAFNTBPPARGPPARAMEN1
SCHEMBL3522427 0.78 MIF (0.50) FNTAFNTBPRKCZGABBR2GABBR1
SCHEMBL27829876 0.78 ALDH1A1 (0.62) FNTAFNTBPPARGPPARA
SCHEMBL29154379 0.77 FNTA (0.62) FNTAFNTBGABBR2GABBR1
SCHEMBL6553384 0.77 GABBR2 (0.63) GABBR2GABBR1CYP1A2MEN1KMT2A
SCHEMBL6553378 0.77 GABBR2 (0.63) GABBR2GABBR1CYP1A2MEN1KMT2A
SCHEMBL28335512 0.75 GABBR2 (0.61) GABBR2GABBR1CYP1A2MEN1KMT2A
SCHEMBL27291057 0.75 GABBR2 (0.61) GABBR2GABBR1CYP1A2MEN1KMT2A
SCHEMBL16439493 0.75 GABBR2 (0.58) FNTAFNTBPPARGPPARAPRKCZ

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
US-4748185-A RODENTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed