SCHEMBL9212882

SCHEMBL9212882

Cc1c(C)c2ccc(OCCCNC(=O)OC(C)(C)C)c(C)c2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
HPGD P15428 7/20 0.53
HSD17B10 Q99714 7/20 0.53
RAB9A P51151 3/20 0.53
GLA P06280 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 4/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL9213999 0.83 KDM4E (0.50) KDM4EHPGDHSD17B10RAB9AGLA
SCHEMBL9213991 0.83 KDM4E (0.50) KDM4EHPGDHSD17B10RAB9AGLA
SCHEMBL9218616 0.80 KDM4E (0.49) KDM4EHPGDHSD17B10RAB9AGLA
SCHEMBL9218608 0.80 KDM4E (0.49) KDM4EHPGDHSD17B10RAB9AGLA
Hydrochloric Acid SCHEMBL9212023 0.78 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9AGLA
SCHEMBL9218144 0.78 KDM4E (0.56) KDM4EHPGDHSD17B10RAB9AGLA
SCHEMBL9219900 0.78 KDM4E (0.52) KDM4EHPGDHSD17B10RAB9AGLA
SCHEMBL9212193 0.78 KDM4E (0.52) KDM4EHPGDHSD17B10RAB9AGLA
Hydrochloric Acid SCHEMBL9220773 0.76 KDM4E (0.52) KDM4EHPGDHSD17B10RAB9AGLA
Hydrochloric Acid SCHEMBL9211014 0.75 KDM4E (0.51) KDM4EHPGDHSD17B10RAB9AGLA

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