SCHEMBL28494397

SCHEMBL28494397

CNC(=O)Oc1cc(CO)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
ALDH1A1 P00352 3/20 0.40
LOXL2 Q9Y4K0 8/20 0.39
LOX P28300 6/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ACHE P22303 2/20 0.34
GRM2 Q14416 1/20 0.33
PGR P06401 1/20 0.33
GAA P10253 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL28490171 0.86 CYP4F2 (0.41) ALDH1A1LOXL2LOXCYP4F2CYP4A11
SCHEMBL27585619 0.84 RECQL (0.42) RECQLALDH1A1LOXL2LOXCYP4F2
SCHEMBL6204914 0.79 RECQL (0.46) RECQLLOXL2LOXCYP4F2CYP4A11
SCHEMBL5725243 0.78 ALDH1A1 (0.42) ALDH1A1GAA
SCHEMBL29127669 0.77 RAB9A (0.47) ALDH1A1GAA
SCHEMBL10672147 0.77 RECQL (0.41) RECQLALDH1A1LOXL2LOXCYP4F2
SCHEMBL28484384 0.75 ALDH1A1 (0.35) ALDH1A1CYP4F2CYP4A11PGRGAA
SCHEMBL29841247 0.74 LOXL2 (0.67) RECQLLOXL2LOXGRM2
SCHEMBL17752 0.74 LOXL2 (0.67) RECQLLOXL2LOXGRM2
SCHEMBL2940362 0.73 RECQL (0.50) RECQLLOXL2LOX

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-111902404-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2020-11-06 CN disclosed