SCHEMBL9215376

SCHEMBL9215376

CCCc1cc(=O)oc2cc(OCC3CN(C(=O)OC(C)(C)C)CCO3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.52
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA5B Q9Y2D0 2/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL9214625 0.89 KDM4E (0.56) CA12CA1CA2CA4CA5A
SCHEMBL9210866 0.83 KDM4E (0.49) CA12CA1CA2CA4CA5A
SCHEMBL9213959 0.76 EPHA2 (0.48) KDM4EALDH1A1HPGDKMT2APKM
SCHEMBL5294746 0.75 KDM4E (0.51) NPC1KDM4EMAPTRAB9AEPHA2
SCHEMBL24933225 0.75 EPHA2 (0.58) EPHA2
SCHEMBL1473531 0.75 KDM4E (0.47) NPC1KDM4EALDH1A1HPGDKMT2A
SCHEMBL8251140 0.75 KDM4E (0.47) NPC1KDM4EALDH1A1HPGDKMT2A
SCHEMBL9216988 0.75 KDM4E (0.53) NPC1KDM4EALDH1A1HPGDKMT2A
SCHEMBL25539657 0.75 EPHA2 (0.46) EPHA2
SCHEMBL1852171 0.74 PDK1 (0.51) KMT2AEPHA2

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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