SCHEMBL9504204

SCHEMBL9504204

CC(C)CCCCCCCCCc1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.62
OPRM1 P35372 5/20 0.62
OPRD1 P41143 5/20 0.62
MGLL Q99685 1/20 0.54
HDAC6 Q9UBN7 1/20 0.53
DRD2 P14416 3/20 0.50
DRD1 P21728 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GAA P10253 1/20 0.48
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
CALM1 P0DP23 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45

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
SCHEMBL8459688 1.00 OPRK1 (0.62) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL3380877 1.00 OPRK1 (0.62) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL104012 0.85 OPRK1 (0.70) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL23677780 0.85 OPRM1 (0.50) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL21002079 0.85 MGLL (0.68) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL8398287 0.85 MGLL (0.68) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL26548204 0.85 MGLL (0.68) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL22986529 0.84 OPRM1 (0.49) OPRK1OPRM1OPRD1MGLLHDAC6
SCHEMBL23677764 0.84 DRD2 (0.55) OPRK1OPRM1OPRD1MGLLDRD2
SCHEMBL22986543 0.84 OPRM1 (0.51) OPRK1OPRM1OPRD1MGLLHDAC6

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-0453449-B1 PROCESS FOR THE FLOTATION OF FILLERS OF WASTE PAPER IN THE PRESENCE OF TENSIDES CONTAINING SULPHONATE GROUPS Henkel Kommanditgesellschaft auf Aktien (DE) 1993-06-02 EP claimed