SCHEMBL29957761

SCHEMBL29957761

CCCOc1ccc2oc(B(O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
MAOA P21397 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA5A P35218 1/20 0.48
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MGLL Q99685 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
S1PR1 P21453 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL12269272 0.94 MAOB (0.51) MAOBMAOACA12CA1CA2
SCHEMBL28632856 0.88 CA9 (0.58) MAOBMAOACA12CA1CA2
SCHEMBL17401003 0.88 KDM4E (0.49) MAOBMAOACA12CA1CA6
SCHEMBL17541467 0.85 CA12 (0.48) MAOBMAOACA12CA1CA9
SCHEMBL1922500 0.83 KDM4E (0.44) MAOBMAOACA12CA1CA2
SCHEMBL1602863 0.82 CA12 (0.58) MAOBMAOACA12CA1CA2
SCHEMBL17541501 0.82 KDM4E (0.46) MAOBMAOACA12CA1CA2
SCHEMBL7931672 0.80 MAOB (0.46) MAOBMAOACA12CA1CA2
SCHEMBL2963271 0.80 KDM4E (0.53) MAOBCA12CA1CA2CA6
SCHEMBL7931669 0.79 MAOB (0.48) MAOBMAOACA12CA1CA2

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