SCHEMBL29952469

SCHEMBL29952469

Cc1ccc(COc2cccc(B(O)O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.62
MAOA P21397 2/20 0.56
ENPP2 Q13822 2/20 0.53
HPD P32754 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
APP P05067 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL12420271 0.89 ENPP2 (0.54) MAOBENPP2APPF2
SCHEMBL22563 0.88 ENPP2 (0.67) MAOBENPP2APPNPC1RAB9A
SCHEMBL2561649 0.88 ENPP2 (0.53) MAOBMAOAENPP2F2
SCHEMBL17236537 0.87 APP (0.53) MAOBENPP2APPRAB9AF2
SCHEMBL29951430 0.86 MAOB (0.63) MAOBMAOAENPP2NR1H4
SCHEMBL16687440 0.86 ENPP2 (0.56) MAOBENPP2APPF2
SCHEMBL9946045 0.86 MAOB (0.64) MAOBMAOAHPDNR1H4APP
SCHEMBL22315 0.85 CYP4F2 (0.58) MAOBMAOAENPP2RAB9A
SCHEMBL2560315 0.85 ENPP2 (0.54) MAOBENPP2APPNPC1RAB9A
SCHEMBL23988 0.84 NR4A2 (0.58) MAOBMAOAENPP2HPDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed