SCHEMBL29953529

SCHEMBL29953529

C#CCOc1cccc(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.57
MAOA P21397 10/20 0.57
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
CA2 P00918 1/20 0.51
SRC P12931 1/20 0.47
GSTP1 P09211 1/20 0.44
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL3523795 1.00 MAOB (0.57) MAOBMAOANPC1RAB9ATDP1
SCHEMBL30737401 0.85 MAOB (0.49) MAOBMAOANPC1RAB9ATDP1
SCHEMBL29956503 0.83 MAOA (0.54) MAOBMAOANPC1RAB9ATDP1
SCHEMBL2277043 0.83 MAOA (0.57) MAOBMAOANPC1RAB9ATDP1
SCHEMBL28423025 0.82 GSTP1 (0.44) MAOBMAOACA12CA9CA2
SCHEMBL23315105 0.81 CA12 (0.54) MAOBMAOARAB9ACA12CA9
SCHEMBL13338101 0.81 MAOB (0.59) MAOBMAOACA12CA9CA2
SCHEMBL24215088 0.80 MAOA (0.54) MAOBMAOANPC1RAB9ATDP1
SCHEMBL29954271 0.80 MAOA (0.54) MAOBMAOANPC1RAB9ATDP1
SCHEMBL24215090 0.80 MAOA (0.54) MAOBMAOANPC1RAB9ATDP1

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