SCHEMBL9808026

SCHEMBL9808026

COc1ccc2c3c1O[C@@H]1C(=O)CCC4(O)[C@@H](C2)N(CC2CC2)CC[C@]314

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 1.00
OPRM1 P35372 10/20 1.00
OPRK1 P41145 8/20 1.00
CYP2D6 P10635 4/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
HSD17B10 Q99714 1/20 1.00
LMNA P02545 2/20 0.98
BLM P54132 1/20 0.98
CHRNA7 P36544 1/20 0.79
CYP1A2 P05177 1/20 0.79
PKM P14618 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.77
HIF1A Q16665 1/20 0.76

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
SCHEMBL14883668 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL18475510 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL29796720 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL12657346 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL13172000 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL12137748 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL15241475 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL15803772 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL20306870 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1
SCHEMBL46197 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071985-A Demethylation with sulfonic acid derivative in the presence of a sulfide SANOFI (FR) 1991-12-10 US disclosed