SCHEMBL9214625

SCHEMBL9214625

Cc1cc(=O)oc2cc(OCC3CN(C(=O)OC(C)(C)C)CCO3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.56
▸ ALDH1A1 P00352 11/20 0.56
▸ HPGD P15428 8/20 0.56
▸ MAPT P10636 5/20 0.56
▸ TP53 P04637 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.54
▸ AR P10275 1/20 0.52
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ MAOB P27338 3/20 0.49
▸ MAOA P21397 2/20 0.49
▸ GAA P10253 1/20 0.47
▸ USP2 O75604 1/20 0.47

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
SCHEMBL9215376 0.89 NPC1 (0.52) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL9210866 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL9213959 0.83 EPHA2 (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5294746 0.80 KDM4E (0.51) KDM4EMAPT
SCHEMBL24933225 0.78 EPHA2 (0.58) —
SCHEMBL1473531 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL8251140 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL25539657 0.78 EPHA2 (0.46) —
SCHEMBL1852171 0.78 PDK1 (0.51) —
SCHEMBL5297191 0.77 EPHA2 (0.43) —

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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