SCHEMBL9210866

SCHEMBL9210866

CC(C)(C)OC(=O)N1CCOC(COc2ccc3ccc(=O)oc3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ EPHA2 P29317 2/20 0.45
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA5B Q9Y2D0 2/20 0.44

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
SCHEMBL9214625 0.87 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30689500 0.84 KDM4E (0.49) KDM4EALDH1A1HSD17B10TSHRKMT2A
SCHEMBL9215376 0.83 NPC1 (0.52) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL24933225 0.80 EPHA2 (0.58) EPHA2PDK1ERBB2EPHB4
SCHEMBL25539657 0.80 EPHA2 (0.46) EPHA2PDK1ERBB2EPHB4
SCHEMBL1852171 0.79 PDK1 (0.51) KMT2AEPHA2PDK1ERBB2EPHB4
SCHEMBL5297191 0.79 EPHA2 (0.43) EPHA2PDK1ERBB2EPHB4
SCHEMBL5292472 0.79 EPHA2 (0.43) EPHA2PDK1ERBB2EPHB4
SCHEMBL1473383 0.79 EPHA2 (0.43) EPHA2PDK1ERBB2EPHB4
SCHEMBL5294746 0.78 KDM4E (0.51) KDM4EMAPTEPHA2PDK1ERBB2

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
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