SCHEMBL8892290

SCHEMBL8892290

CCCc1c(C(=O)CC)ccc(OC(Br)CC)c1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
CYSLTR2 Q9NS75 6/20 0.37
CYSLTR1 Q9Y271 6/20 0.37
PPARD Q03181 3/20 0.36
GRM2 Q14416 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL8440090 0.91 PPARG (0.44) PPARGPPARACYSLTR2CYSLTR1PPARD
SCHEMBL8444234 0.82 PPARG (0.43) PPARGPPARACYSLTR2CYSLTR1PPARD
SCHEMBL8442410 0.81 CYSLTR2 (0.54) PPARGPPARACYSLTR2CYSLTR1PPARD
SCHEMBL8892285 0.79 PPARG (0.45) PPARGPPARACYSLTR2CYSLTR1PPARD
SCHEMBL8522465 0.77 KDM4E (0.34) PPARGPPARAPPARDLMNAMAPT
SCHEMBL8442352 0.75 PRKCI (0.37) PPARGPPARACYSLTR2CYSLTR1CYP1A2
SCHEMBL8443183 0.72 PPARG (0.46) PPARGPPARACYP1A2MAPTCYP2C9
SCHEMBL8443104 0.72 CYSLTR2 (0.53) PPARGPPARACYSLTR2CYSLTR1PPARD
SCHEMBL6935920 0.71 PPARG (0.54) PPARGPPARACYSLTR2CYSLTR1PPARD
SCHEMBL10470134 0.70 CYSLTR2 (0.54) PPARGPPARACYSLTR2CYSLTR1PPARD

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-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed