SCHEMBL7302034

SCHEMBL7302034

Cc1nnc(COc2cc(C)c3c(C)c(C)c(=O)oc3c2)s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
SLC26A3 P40879 4/20 0.42
RAB9A P51151 1/20 0.40
ACHE P22303 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH2 P05091 1/20 0.38

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
SCHEMBL5806930 0.88 MAOB (0.50) MAOBACHEKDM4EALDH1A1GAA
SCHEMBL7302123 0.80 MAOB (0.77) MAOBACHE
SCHEMBL7293972 0.77 MAOB (0.56) MAOBRAB9AACHEMAPT
SCHEMBL7291407 0.75 MAOB (0.64) MAOBACHEKDM4EALDH1A1HPGD
SCHEMBL7296443 0.74 ALDH1A1 (0.64) MAOBRAB9AKDM4EALDH1A1POLB
SCHEMBL7293827 0.74 MAOB (0.65) MAOBACHEKDM4EALDH1A1GAA
SCHEMBL7294868 0.73 MAOB (0.64) MAOBRAB9AACHEKDM4EALDH1A1
SCHEMBL7300790 0.72 KDM4E (0.57) MAOBRAB9AKDM4EALDH1A1HPGD
SCHEMBL7300401 0.72 TDP1 (0.62) MAOBRAB9AKDM4EALDH1A1POLB
SCHEMBL5617595 0.71 MAOB (0.50) MAOBACHEKDM4EALDH1A1MAPT

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