SCHEMBL7302999

SCHEMBL7302999

Cc1c(C)c2ccc(OCc3ccc(Cl)s3)cc2oc1=S

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.49
ACHE P22303 8/20 0.49
MAOA P21397 4/20 0.49
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 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
SCHEMBL7292527 0.86 MAOB (0.66) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL7314399 0.74 MAOB (0.55) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL7300706 0.74 ACHE (0.66) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL9135400 0.74 MAOB (0.42) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL7312144 0.74 MAOB (0.47) MAOBACHEMAOA
SCHEMBL7304194 0.74 MAOB (0.78) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7308829 0.72 MAOB (0.53) MAOBACHEMAOAKDM4E
SCHEMBL7295186 0.72 ACHE (0.62) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL13799436 0.71 MEN1 (0.46) MAOBMAOA
SCHEMBL7302695 0.71 MAOB (0.51) MAOBACHEMAOA

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
US-5414006-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed
EP-0594036-A1 Arylalkyloxythiocoumarines, process for their preparation and therapeutical agents containing them BASF Aktiengesellschaft (DE) 1994-04-27 EP disclosed