SCHEMBL8083114

SCHEMBL8083114

CC(C)C1CCC(C)(c2ccccc2)C(O)(c2ccccc2)C1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.37
OPRM1 P35372 3/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
SLC18A3 Q16572 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL27847723 0.83 OPRL1 (0.35) OPRL1OPRM1OPRK1OPRD1SLC18A3
SCHEMBL10410682 0.77 GRIN2B (0.34) OPRL1SLC18A3MAPTCYP2D6
SCHEMBL27485524 0.74 OPRL1 (0.35) OPRL1CYP2D6
SCHEMBL8083109 0.74 TRPA1 (0.37) OPRL1OPRM1OPRK1OPRD1SLC18A3
Cyclohexane SCHEMBL18860239 0.73 TRPA1 (0.41) SLC18A3TRPA1
SCHEMBL11755106 0.73 OPRL1 (0.34) OPRL1OPRM1OPRK1CYP2D6
SCHEMBL28855370 0.73 OPRL1 (0.34) OPRL1OPRM1OPRK1CYP2D6
SCHEMBL4740428 0.72 OPRL1 (0.36) OPRL1CYP2D6
SCHEMBL27561826 0.72 OPRL1 (0.40) OPRL1OPRM1OPRK1CYP2D6SLC6A2
SCHEMBL28181546 0.72 ATM (0.35) OPRL1OPRM1OPRK1OPRD1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956314-B1 Refuse containers with biocide. OTTO GMBH & CO KG GEB (DE) 2000-10-18 EP disclosed
EP-0956314-A1 POLYMER COMPOSITION, THE PRODUCTION AND FURTHER PROCESSING THEREOF INTO RECEPTACLES Gebr. OTTO KG (DE) 1999-11-17 EP disclosed
WO-1999037710-A1 POLYMER COMPOSITION, THE PRODUCTION AND FURTHER PROCESSING THEREOF INTO RECEPTACLES GEBR. OTTO KG (DE) 1999-07-29 WO disclosed