SCHEMBL29954055

SCHEMBL29954055

Cc1cccc(COc2ccc(B(O)O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.62
ENPP2 Q13822 1/20 0.57
MAOA P21397 2/20 0.51
FFAR1 O14842 3/20 0.50
NR1H4 Q96RI1 1/20 0.49
IDO1 P14902 2/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL177403 1.00 MAOB (0.62) MAOBENPP2MAOAFFAR1NR1H4
SCHEMBL29951430 0.86 MAOB (0.63) MAOBENPP2MAOAFFAR1NR1H4
SCHEMBL2558394 0.85 PARP10 (0.58) MAOBENPP2
SCHEMBL16687434 0.84 ENPP2 (0.68) MAOBENPP2FFAR1
SCHEMBL28090621 0.84 MAOB (0.62) MAOBENPP2MAOAFFAR1NR1H4
SCHEMBL16687433 0.84 MAOB (0.54) MAOBENPP2MAOAFFAR1
SCHEMBL10866245 0.83 MAOB (0.69) MAOBMAOAFFAR1NR1H4IDO1
SCHEMBL257781 0.83 MAOB (0.69) MAOBMAOAFFAR1IDO1ACHE
SCHEMBL16687432 0.83 ENPP2 (0.59) MAOBENPP2MAOAFFAR1NR1H4
SCHEMBL2559641 0.83 MAOB (0.67) MAOBENPP2MAOA

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