SCHEMBL9211102

SCHEMBL9211102

Cc1c(C)c2ccc(OCC3CNCCO3)cc2oc1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.55
▸ MAOA P21397 6/20 0.55
▸ ACHE P22303 9/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALB P02768 1/20 0.50

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 SCHEMBL9217447 0.99 MAOB (0.57) MAOBMAOAACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9213168 0.99 MAOB (0.57) MAOBMAOAACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9211581 0.99 MAOB (0.57) MAOBMAOAACHEKDM4EALDH1A1
SCHEMBL9218485 0.88 ALDH1A1 (0.54) MAOBMAOAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL9220668 0.87 ALDH1A1 (0.53) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL7295219 0.85 MAOB (0.62) MAOBMAOAACHEKDM4EALDH1A1
SCHEMBL11096505 0.84 MAOB (0.63) MAOBMAOAACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9219927 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL9218684 0.82 SLC6A4 (0.44) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL9216988 0.81 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2C9HPGD

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
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