SCHEMBL9213959

SCHEMBL9213959

Cc1cc(=O)oc2c(C)c(OCC3CN(C(=O)OC(C)(C)C)CCO3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ FHIT P49789 1/20 0.48
▸ ERBB2 P04626 1/20 0.47
▸ EPHB4 P54760 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL9211090 0.89 KDM4E (0.54) EPHA2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9221753 0.89 KDM4E (0.54) EPHA2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9214012 0.84 KDM4E (0.45) EPHA2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9214625 0.83 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL28851224 0.78 EPHA2 (0.51) EPHA2ALDH1A1ERBB2EPHB4GLA
SCHEMBL306369 0.78 EPHA2 (0.50) EPHA2KDM4EHPGDERBB2EPHB4
SCHEMBL9213710 0.76 EPHA2 (0.49) EPHA2KDM4EHSD17B10ALDH1A1FHIT
SCHEMBL9215376 0.76 NPC1 (0.52) EPHA2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL13482008 0.75 EPHA2 (0.51) EPHA2ERBB2EPHB4
SCHEMBL4301622 0.75 EPHA2 (0.54) EPHA2ERBB2EPHB4

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
Send feedback