SCHEMBL9218608

SCHEMBL9218608

CCC(CCOc1ccc2c(C)c(C)c(=O)oc2c1C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.49
HPGD P15428 9/20 0.49
HSD17B10 Q99714 8/20 0.49
GLA P06280 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ALDH1A1 P00352 10/20 0.48
TSHR P16473 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 3/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL9218616 1.00 KDM4E (0.49) KDM4EHPGDHSD17B10GLAMAPT
SCHEMBL9213991 0.89 KDM4E (0.50) KDM4EHPGDHSD17B10GLAMAPT
SCHEMBL9213999 0.89 KDM4E (0.50) KDM4EHPGDHSD17B10GLAMAPT
Hydrochloric Acid SCHEMBL9220110 0.81 KDM4E (0.49) KDM4EHPGDHSD17B10GLAMAPT
Hydrochloric Acid SCHEMBL9220112 0.81 KDM4E (0.49) KDM4EHPGDHSD17B10GLAMAPT
SCHEMBL9212882 0.80 KDM4E (0.53) KDM4EHPGDHSD17B10GLAMAPT
Hydrochloric Acid SCHEMBL9211934 0.74 KDM4E (0.51) KDM4EHPGDHSD17B10GLAMAPT
Hydrochloric Acid SCHEMBL9211932 0.74 KDM4E (0.51) KDM4EHPGDHSD17B10GLAMAPT
SCHEMBL9219900 0.73 KDM4E (0.52) KDM4EHPGDHSD17B10GLAMAPT
SCHEMBL9212193 0.73 KDM4E (0.52) KDM4EHPGDHSD17B10GLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411912-B1 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders SANKYO CO (JP) 1995-04-19 EP disclosed
EP-0411912-A2 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders Sankyo Company Limited (JP) 1991-02-06 EP disclosed