SCHEMBL7440445

SCHEMBL7440445

CCc1c(C)c(=O)oc2cc(OCc3ccc(C(C)C)cc3)ccc12

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.63
ACHE P22303 10/20 0.63
MAOA P21397 8/20 0.63
AR P10275 1/20 0.58

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
SCHEMBL7427852 0.91 MAOB (0.63) MAOBACHEMAOAAR
SCHEMBL5618032 0.90 MAOB (0.77) MAOBACHEMAOAAR
SCHEMBL5618481 0.84 MAOB (0.77) MAOBACHEMAOAAR
SCHEMBL5617810 0.79 NPC1 (0.76) MAOBACHEMAOAAR
SCHEMBL7438868 0.79 TDP1 (0.75) MAOBAR
SCHEMBL7423689 0.77 MAOB (1.00) MAOBACHEMAOA
SCHEMBL7434463 0.77 MAOB (0.58) MAOBACHEMAOAAR
SCHEMBL7301258 0.77 MAOB (0.48) MAOBACHEMAOA
SCHEMBL5618607 0.77 MAOB (1.00) MAOBACHEMAOA
SCHEMBL5617809 0.77 MAOB (0.68) MAOBACHEMAOAAR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363793-B1 ARYL ALKOXY COUMARINS, PROCESS FOR THEIR PRODUCTION AND THERAPEUTIC AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
US-5100914-A Monoamine Oxidase Inhibitors, Central Nervous System Disorders BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0363793-A1 Aryl alkoxy coumarins, process for their production and therapeutic agents containing them BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed