SCHEMBL2442748

SCHEMBL2442748

CC(C)[C@@H](O)C1(CCc2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 4/20 0.40
OPRL1 P41146 3/20 0.40
TRPA1 O75762 2/20 0.40
KDM4E B2RXH2 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
GRIN2B Q13224 1/20 0.36
DUSP3 P51452 1/20 0.35
SLC18A2 Q05940 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
SCHEMBL4904163 0.90 OPRM1 (0.41) ALDH1A1OPRM1OPRL1OPRD1OPRK1
SCHEMBL4909815 0.80 OPRM1 (0.46) ALDH1A1OPRM1OPRL1KDM4EOPRD1
SCHEMBL4278262 0.73 ALDH1A1 (0.40) ALDH1A1OPRM1OPRL1
SCHEMBL14894430 0.72 TRPV3 (0.45) ALDH1A1OPRM1OPRL1KDM4EOPRD1
SCHEMBL6647779 0.70 OPRM1 (0.44) ALDH1A1OPRM1OPRL1OPRD1OPRK1
SCHEMBL4204848 0.70 OPRM1 (0.60) ALDH1A1OPRM1OPRL1OPRD1OPRK1
SCHEMBL2437101 0.69 ALDH1A1 (0.48) ALDH1A1OPRM1OPRL1TRPA1KDM4E
SCHEMBL4904161 0.67 ALDH1A1 (0.56) ALDH1A1OPRM1OPRL1KDM4EOPRD1
SCHEMBL4901657 0.67 ALDH1A1 (0.56) ALDH1A1OPRM1OPRL1KDM4EOPRD1
SCHEMBL4916137 0.67 MAOA (0.40) OPRM1OPRL1TRPA1OPRD1OPRK1

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
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed