SCHEMBL7301258

SCHEMBL7301258

CCc1c(C)c(=O)oc2cc(OCc3cc(C(C)C)n(C)n3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
ACHE P22303 7/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAOA P21397 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
SCHEMBL7302386 0.91 MAOB (0.58) MAOBACHEMAOA
SCHEMBL7302076 0.85 MAOB (0.61) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7303229 0.80 TDP1 (0.60) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7303152 0.80 ACHE (0.59) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7305804 0.80 MAOB (0.44) MAOBACHEMAOA
SCHEMBL5617560 0.79 MAOB (0.45) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7304086 0.79 SLC26A3 (0.43) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7440445 0.77 MAOB (0.63) MAOBACHEMAOA
SCHEMBL7303132 0.75 MAOB (0.43) MAOBACHEALDH1A1HSD17B10
SCHEMBL7302120 0.74 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10

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