SCHEMBL2439643

SCHEMBL2439643

CC(C=O)CC1(CCc2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL2437101 0.78 ALDH1A1 (0.48) ALDH1A1CTSLCTSSCTSKCRHBP
SCHEMBL2444011 0.76 CRHBP (0.39) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL4901657 0.71 ALDH1A1 (0.56) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL4904161 0.71 ALDH1A1 (0.56) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL9285880 0.70 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATAAR1NPC1
SCHEMBL1976468 0.70 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATAAR1NPC1
SCHEMBL2437772 0.69 ALDH1A1 (0.38) ALDH1A1CRHBPCRHR2KDM1AMAOA
SCHEMBL18092829 0.69 ALDH1A1 (0.41) ALDH1A1CRHBPCRHR2KDM1AMAOA
SCHEMBL585515 0.67 SIGMAR1 (0.45) ALDH1A1CTSKMEN1KMT2A
SCHEMBL6647779 0.67 OPRM1 (0.44) ALDH1A1KDM1AMAOAMAOBOPRM1

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