SCHEMBL7582686

SCHEMBL7582686

COc1cc(NC(C(=O)O)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
MAPT P10636 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 2/20 0.65
THRB P10828 1/20 0.65
ATM Q13315 2/20 0.50
G6PD P11413 1/20 0.50
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PRSS3 P35030 1/20 0.44
POLB P06746 2/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL16745369 0.80 MEN1 (0.53) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL7598789 0.80 ALDH1A1 (0.62) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL29254055 0.80 MEN1 (1.00) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL7574784 0.79 F2 (0.47) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL14832762 0.78 CYP2C9 (0.67) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL21530804 0.78 CYP2C9 (0.67) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL2488262 0.77 TDP1 (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL7575664 0.77 ALDH1A1 (0.61) KMT2AMEN1MAPTHTTATM
SCHEMBL13240794 0.77 TDP1 (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL13282701 0.77 POLB (0.67) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed