SCHEMBL7300706

SCHEMBL7300706

Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.66
MAOB P27338 11/20 0.66
MAOA P21397 3/20 0.63
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
RAB9A P51151 1/20 0.60

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 0.88 MAOB (0.66) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7295186 0.88 ACHE (0.62) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL5617774 0.86 ACHE (0.59) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7301896 0.82 ACHE (0.67) ACHEMAOBMAOA
SCHEMBL7297436 0.81 ACHE (0.62) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7302123 0.81 MAOB (0.77) ACHEMAOBMAOA
SCHEMBL26743702 0.80 HPGD (0.78) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL5618607 0.80 MAOB (1.00) ACHEMAOBMAOA
SCHEMBL7432074 0.80 ACHE (1.00) ACHEMAOBMAOA
SCHEMBL7301269 0.78 ACHE (0.78) ACHEMAOBMAOA

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-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5227392-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed