SCHEMBL12836600

SCHEMBL12836600

O=C1CC[C@H]2[C@@H]3CCC[C@@]24c2c(ccc(O)c2O[C@@H]14)C3

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.64
OPRM1 P35372 8/20 0.64
OPRK1 P41145 7/20 0.64
LMNA P02545 1/20 0.47
PDE4D Q08499 1/20 0.47
MRGPRX2 Q96LB1 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
CYP2D6 P10635 2/20 0.43
CHRNA7 P36544 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12964014 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18878473 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL21226454 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL684700 0.86 OPRM1 (0.48) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18994809 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL327364 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL19919122 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12836597 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12831723 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18994760 0.84 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D

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
WO-2011037854-A2 METHODS FOR PRODUCING HYDROCODONE, HYDROMORPHONE OR A DERIVATIVE THEREOF MALLINCKRODT INC. (US) 2011-03-31 WO disclosed
WO-2010118273-A1 RUTHENIUM CATALYSTS FOR THE PRODUCTION OF HYDROCODONE, HYDROMORPHONE OR A DERIVATIVE THEREOF MALLINCKRODT INC. (US) 2010-10-14 WO disclosed