SCHEMBL2791585

SCHEMBL2791585

CCC(O)(C1CCC1)C(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
RECQL P46063 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 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
SCHEMBL16594018 0.74 GAA (0.40) ALDH1A1CYP2D6CHRM2CHRM1KCNH2
SCHEMBL8235740 0.71 LMNA (0.45) ALDH1A1HIF1AMEN1KMT2ALMNA
SCHEMBL19381479 0.71 LMNA (0.45) ALDH1A1HIF1AMEN1KMT2ALMNA
SCHEMBL3098091 0.70 LMNA (0.43) HIF1ACHRM2CHRM1KCNH2LMNA
SCHEMBL10890027 0.68 GAA (0.43) ALDH1A1GAAL3MBTL1CYP3A4HPGD
SCHEMBL12224858 0.67 SHBG (0.33) CYP2D6CYP1A2CHRM2CHRM1KCNH2
SCHEMBL3401038 0.67 LMNA (0.41) ALDH1A1CYP2D6HIF1AMEN1KMT2A
SCHEMBL28563974 0.67 TAAR1 (0.43) CHRM2CHRM1KCNH2LMNA
SCHEMBL21438353 0.67 TAAR1 (0.43) CHRM2CHRM1KCNH2LMNA
SCHEMBL17242033 0.67 TAAR1 (0.43) CHRM2CHRM1KCNH2LMNA

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-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed