SCHEMBL9064672

SCHEMBL9064672

Nc1cc(C(=O)O)cc(N)c1NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
THRB P10828 3/20 0.44
HPGD P15428 3/20 0.44
GFER P55789 2/20 0.44
HTT P42858 1/20 0.44
PLEC Q15149 1/20 0.44
PTGER4 P35408 1/20 0.42
CYP2C19 P33261 2/20 0.37
KDM4D Q6B0I6 1/20 0.37
HSD17B10 Q99714 2/20 0.37
RAB9A P51151 2/20 0.36
GLA P06280 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 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
SCHEMBL5924210 0.77 KDM4E (0.47) GAAMAPTKDM4EALDH1A1THRB
SCHEMBL1067243 0.77 GAA (0.69) GAAMAPTKDM4EALDH1A1THRB
SCHEMBL5924082 0.72 KDM4E (0.44) GAAMAPTKDM4EALDH1A1THRB
SCHEMBL3671200 0.70 MMP2 (0.49) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL3666211 0.70 POLB (0.46) GAAMAPTKDM4EALDH1A1THRB
SCHEMBL17914233 0.69 KDM4E (0.42) GAAMAPTKDM4EALDH1A1THRB
Hydrochloric Acid SCHEMBL9012929 0.68 KDM4E (0.44) GAAMAPTKDM4EALDH1A1THRB
SCHEMBL1000015 0.68 CA12 (0.48) GAAMAPTKDM4EALDH1A1THRB
SCHEMBL5924522 0.68 HCAR3 (0.42) GAAMAPTKDM4EALDH1A1THRB
Ethylene Glycol SCHEMBL28135664 0.67 KDM4E (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10

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
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US claimed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed