SCHEMBL29956938

SCHEMBL29956938

CC(=O)c1cccc(OCc2ccc(C(=O)O)o2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.64
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
HSP90AA1 P07900 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
POLB P06746 3/20 0.60
MAOA P21397 4/20 0.60
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL15330790 1.00 MAOB (0.64) MAOBNPC1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL2558347 0.83 POLB (0.81) MAOBNPC1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL6815339 0.81 POLB (0.77) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL3562732 0.81 NPC1 (0.69) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL19984727 0.80 NPC1 (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL29956346 0.79 NPC1 (0.62) MAOBNPC1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL29954816 0.79 MAOB (0.60) MAOBMAOAKMT2A
SCHEMBL2558882 0.79 MAOB (0.60) MAOBMAOAKMT2A
SCHEMBL24141510 0.79 NPC1 (0.61) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL68983 0.79 MAOB (1.00) MAOBMAOAKMT2A

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