SCHEMBL8767235

SCHEMBL8767235

CCOC(=O)COc1ccc2c(c1)C(C)(C)C(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
ADRB3 P13945 1/20 0.40
HIF1A Q16665 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
EPHX2 P34913 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
OPRD1 P41143 1/20 0.35

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
SCHEMBL8767229 1.00 POLB (0.40) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL9443694 0.81 ADRB3 (0.51) POLBALDH1A1GAAADRB3NPSR1
SCHEMBL9443701 0.81 ADRB3 (0.51) POLBALDH1A1GAAADRB3NPSR1
SCHEMBL9443665 0.81 ADRB3 (0.51) POLBALDH1A1GAAADRB3NPSR1
SCHEMBL8768125 0.79 POLB (0.40) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL8768133 0.79 POLB (0.40) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL8765787 0.79 POLB (0.50) POLBALDH1A1KDM4EGAAHPGD
SCHEMBL8768732 0.78 OPRM1 (0.54) OPRM1OPRK1OPRD1
SCHEMBL8768742 0.78 OPRM1 (0.54) OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL8767875 0.77 HPGD (0.45) POLBALDH1A1KDM4EGAAHPGD

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-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed