SCHEMBL1305196

SCHEMBL1305196

CC(C)(Oc1ccc(N(C(N)=O)c2ccc(I)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 10/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
FABP2 P12104 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL1304681 0.88 PPARA (0.53) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1304250 0.87 PPARA (0.51) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1305105 0.87 PPARA (0.51) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1305427 0.87 PPARA (0.51) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1304545 0.86 ITGB3 (0.52) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2131476 0.84 PPARA (0.67) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1304616 0.84 PPARA (0.49) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL5335443 0.83 PPARA (0.48) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2581150 0.82 PPARA (0.57) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1304973 0.82 PPARA (0.47) PPARAMEN1KMT2ACYP2C19CYP1A2

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 14 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
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP claimed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US claimed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP claimed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO claimed
US-8053449-B2 Method for inhibiting AGE complex formation Cell Viable Corporation (US) 2011-11-08 US disclosed
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
US-20070099966-A1 Device and Method for Inhibiting AGE Complex Formation Cell Viable Corporation 2007-05-03 US disclosed
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US disclosed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP disclosed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO disclosed