SCHEMBL9703085

SCHEMBL9703085

CC1(C)C(=O)c2cc(Cl)c(Cl)cc2[C@@H](n2ccccc2=O)[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PARP16 Q8N5Y8 2/20 0.31
PARP3 Q9Y6F1 2/20 0.31
ABCC9 O60706 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL9588575 1.00 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1PARP16
SCHEMBL9588271 0.86 DRD2 (0.34) ABCC9DRD2DRD4
SCHEMBL9587643 0.83 ALDH1A1 (0.32)
SCHEMBL9702059 0.83 ALDH1A1 (0.32)
SCHEMBL9588012 0.81 IDO1 (0.34) OPRM1OPRD1OPRK1OPRL1
SCHEMBL9589616 0.81 MAPK1 (0.36) OPRM1OPRD1
SCHEMBL9589012 0.81 ALDH1A1 (0.36)
SCHEMBL9587842 0.80 MEN1 (0.41)
SCHEMBL9701823 0.80 MEN1 (0.41)
SCHEMBL9588026 0.79 ABCC9 (0.40) ABCC9

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
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP disclosed