SCHEMBL9211866

SCHEMBL9211866

Cc1c(C)c2ccc(OCC3CN(C)CCO3)c(C)c2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 5/20 0.48
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ TSHR P16473 1/20 0.43

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
Hydrochloric Acid SCHEMBL9217598 0.99 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9221753 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9211090 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9209645 0.79 HTR2A (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL9212810 0.78 HTR2A (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL9212821 0.78 HTR2A (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL9213650 0.78 HTR2A (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL9214012 0.73 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL13452487 0.72 DRD4 (0.60) HRH3
Hydrochloric Acid SCHEMBL9211654 0.70 HTR2A (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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 4 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 claimed
EP-0411912-A2 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders Sankyo Company Limited (JP) 1991-02-06 — — EP claimed
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