SCHEMBL2437101

SCHEMBL2437101

C[C@H](CO)CC1(CCc2ccccc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
OPRM1 P35372 4/20 0.39
GAA P10253 1/20 0.39
OPRD1 P41143 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
OPRL1 P41146 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 2/20 0.38

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
SCHEMBL4904161 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ECRHBPCRHR2OPRM1
SCHEMBL4901657 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ECRHBPCRHR2OPRM1
SCHEMBL2439643 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ECRHBPCRHR2OPRM1
SCHEMBL13545892 0.74 ALDH1A1 (0.55) ALDH1A1KDM4ECRHBPCRHR2OPRM1
SCHEMBL18092829 0.70 ALDH1A1 (0.41) ALDH1A1CRHBPCRHR2OPRM1GAA
SCHEMBL4905758 0.69 OPRM1 (0.58) ALDH1A1KDM4EOPRM1GAAOPRD1
SCHEMBL4909810 0.69 OPRM1 (0.58) ALDH1A1KDM4EOPRM1GAAOPRD1
SCHEMBL920394 0.69 TRPA1 (0.50) KDM4EMEN1KMT2ATRPA1
SCHEMBL16429330 0.69 TRPA1 (0.50) KDM4EMEN1KMT2ATRPA1
SCHEMBL2442748 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EOPRM1OPRD1OPRL1

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