SCHEMBL7302247

SCHEMBL7302247

Cc1c(C)c2cc(Br)c(OCc3ccc(C(C)(C)C)s3)cc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 7/20 0.37
HSD17B3 P37058 1/20 0.36
MAOA P21397 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
FHIT P49789 1/20 0.35

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
SCHEMBL9808132 0.85 MAOB (0.39) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL5617774 0.81 ACHE (0.59) MAOBALDH1A1ACHEMAOAKDM4E
SCHEMBL7300226 0.76 MAOB (0.50) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7295186 0.68 ACHE (0.62) MAOBALDH1A1ACHEMAOAKDM4E
SCHEMBL7303132 0.67 MAOB (0.43) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7300706 0.66 ACHE (0.66) MAOBALDH1A1ACHEMAOAKDM4E
SCHEMBL7292527 0.64 MAOB (0.66) MAOBALDH1A1ACHEMAOAKDM4E
SCHEMBL5617595 0.62 MAOB (0.50) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7291668 0.62 ALDH1A1 (0.62) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7303543 0.62 MAOB (0.40) MAOBALDH1A1PKMMAPK1HSD17B10

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-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
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed