SCHEMBL10691616

SCHEMBL10691616

COC(=O)COc1ccc(C(C)=O)c(OCCCBr)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.54
PPARG P37231 3/20 0.54
PPARA Q07869 3/20 0.54
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAOB P27338 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL7328151 0.87 ALDH1A1 (0.57) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL10689689 0.87 HPGD (0.49) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL7332880 0.85 KMT2A (0.51) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL10900060 0.81 CYSLTR2 (0.52) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL11279104 0.80 ALDH1A1 (0.54) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL10691908 0.78 PPARG (0.88) PPARDPPARGPPARACYSLTR2CYSLTR1
SCHEMBL7398995 0.78 ALDH1A1 (0.53) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL7329831 0.77 ALDH1A1 (0.52) PPARDPPARGPPARAALDH1A1MEN1
SCHEMBL10684071 0.77 PPARD (0.63) PPARDALDH1A1MAOB
SCHEMBL11584099 0.77 MEN1 (0.54) PPARDPPARGPPARAALDH1A1MEN1

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
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed