SCHEMBL9550359

SCHEMBL9550359

CCCCc1cccc2cc(CC(=O)OC)oc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MTNR1A P48039 12/20 0.39
MTNR1B P49286 10/20 0.39
TLR8 Q9NR97 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL9550354 0.75 TSHR (0.39) CYP2D6KDM4ECNR2
SCHEMBL6139382 0.74 STING1 (0.48) KDM4ETLR8CNR2
SCHEMBL26240068 0.73 CYP4F2 (0.45) CYP2D6KDM4E
SCHEMBL14420103 0.72 PPARA (0.43) KDM4E
SCHEMBL3131445 0.71 ESR1 (0.52) KDM4E
SCHEMBL3247995 0.69 TLR8 (0.48) TLR8
SCHEMBL9550442 0.69 MAOA (0.51) CYP2D6KDM4E
SCHEMBL5723174 0.69 TLR8 (0.50) KDM4ETLR8
SCHEMBL16050409 0.69 ALOX5 (0.59) KDM4E
SCHEMBL9550388 0.68 TLR8 (0.39) TLR8CNR2

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed