SCHEMBL2437772

SCHEMBL2437772

O=CCC1(CCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
OPRM1 P35372 4/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
GAA P10253 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 3/20 0.37
HSD11B1 P28845 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KEAP1 Q14145 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL2444011 0.93 CRHBP (0.39) ALDH1A1NPC1OPRM1KDM1AMAOA
SCHEMBL5320724 0.75 ALDH1A1 (0.50) ALDH1A1NPC1OPRM1KDM1AMAOA
SCHEMBL5694869 0.75 HTR2A (0.48) ALDH1A1OPRM1KDM1AMAOAMAOB
SCHEMBL28720281 0.73 KDM1A (0.47) ALDH1A1OPRM1KDM1AMAOAMAOB
SCHEMBL2439643 0.69 ALDH1A1 (0.41) ALDH1A1NPC1OPRM1KDM1AMAOA
SCHEMBL8348436 0.69 MAOA (0.38) ALDH1A1OPRM1MAOAMAOBGAA
SCHEMBL4904161 0.68 ALDH1A1 (0.56) ALDH1A1NPC1OPRM1GAAOPRD1
SCHEMBL4901657 0.68 ALDH1A1 (0.56) ALDH1A1NPC1OPRM1GAAOPRD1
SCHEMBL25401977 0.67 DPP4 (0.44) ALDH1A1KDM1AMAOAMAOBSIGMAR1
SCHEMBL18092829 0.67 ALDH1A1 (0.41) ALDH1A1OPRM1KDM1AMAOAMAOB

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