SCHEMBL28697343

SCHEMBL28697343

COC(=O)c1ccc2c(c1)OCC(c1ccccc1)NC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.40
PRCP P42785 1/20 0.40
TRPA1 O75762 3/20 0.38
KIF11 P52732 1/20 0.37
ROCK2 O75116 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17971658 1.00 MEN1 (0.41) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL29557450 1.00 MEN1 (0.41) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL17971681 0.90 GFER (0.43) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL30389925 0.89 NPC1 (0.43) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL17971686 0.89 KDM4E (0.38) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29558147 0.89 HTR7 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29557446 0.89 KDM4E (0.38) MEN1KMT2ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL29616828 0.89 GFER (0.43) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL17971692 0.89 HTR7 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17957411 0.88 ALDH1A1 (0.46) NPC1RAB9AROCK2NISCHALDH1A1

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
CN-114057765-A 3-aryl-4-amido-bicyclo [4,5,0] hydroxamic acids as HDAC inhibitors 瓦洛健康股份有限公司 2022-02-18 CN disclosed