SCHEMBL7328091

SCHEMBL7328091

Cc1c(C)c2ccc(OCn3cnc(Cl)c3Cl)cc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.56
MAOB P27338 8/20 0.56
MAOA P21397 3/20 0.56
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL7303584 0.83 KDM4E (0.55) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7294371 0.76 MAOB (0.56) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL26743702 0.74 HPGD (0.78) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7423689 0.72 MAOB (1.00) ACHEMAOBMAOA
SCHEMBL7301269 0.70 ACHE (0.78) ACHEMAOBMAOA
SCHEMBL7292527 0.70 MAOB (0.66) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL11099484 0.70 ACHE (0.66) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL28463972 0.70 KDM4E (0.69) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL15842938 0.70 KDM4E (1.00) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL22733326 0.69 KDM4E (0.77) ACHEMAOBKDM4EALDH1A1HPGD

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