SCHEMBL9214012

SCHEMBL9214012

Cc1c(C(C)C)c(=O)oc2c(C)c(OCC3CN(C(=O)OC(C)(C)C)CCO3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EPHA2 P29317 4/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ EPHB4 P54760 1/20 0.43
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ P2RX3 P56373 3/20 0.38
▸ P2RX2 Q9UBL9 3/20 0.38

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
SCHEMBL9221753 0.91 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2EPHA2KMT2A
SCHEMBL9211090 0.91 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2EPHA2KMT2A
SCHEMBL9214327 0.86 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9213959 0.84 EPHA2 (0.48) KDM4EALDH1A1EPHA2KMT2AHPGD
SCHEMBL28851224 0.75 EPHA2 (0.51) ALDH1A1EPHA2ERBB2EPHB4GLA
SCHEMBL9209696 0.75 HTR2A (0.47) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9213710 0.73 EPHA2 (0.49) KDM4EALDH1A1EPHA2KMT2AHSD17B10
SCHEMBL9211866 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL306369 0.73 EPHA2 (0.50) KDM4EEPHA2HPGDERBB2EPHB4
Fumaric Acid SCHEMBL9209066 0.73 HTR2A (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD

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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