SCHEMBL2583083

SCHEMBL2583083

CC(C(=O)C(C[C@H](N)C(=O)O)C(=O)O)(c1cc(Cl)cc(Cl)c1)C(NC(N)=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIF11 P52732 14/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12099897 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL6854664 0.72 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL1304464 0.69 KIF11 (0.35) KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL12468591 0.65 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL8559220 0.61 PPARG (0.53) SLC1A3SLC1A2SLC1A1
SCHEMBL8559217 0.61 PPARG (0.53) SLC1A3SLC1A2SLC1A1
SCHEMBL28935966 0.60 SLC1A1 (0.41) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL8563110 0.60 SMN1; SMN2 (0.43) KIF11
SCHEMBL8563107 0.60 SMN1; SMN2 (0.43) KIF11
Hydrochloric Acid SCHEMBL28963262 0.59 SLC1A1 (0.40) SLC1A3SLC1A2SLC1A1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US claimed
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US disclosed
US-20080076804-A1 METHODS FOR INHIBITING AND BREAKING AGE COMPLEX FORMATION Cell Viable Corporation 2008-03-27 US disclosed