SCHEMBL1306105

SCHEMBL1306105

CC(COc1ccc(N(C(N)=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1304907 0.90 MAOB (0.39) CYP1A2PPARAPPARGALOX5KDM4E
SCHEMBL1305528 0.89 SMN1; SMN2 (0.36) CYP1A2PPARAPPARGSMN1; SMN2POLB
SCHEMBL1305269 0.88 CYP1A2 (0.37) CYP1A2PPARAPPARGSMN1; SMN2POLB
SCHEMBL1304563 0.87 MAOA (0.39) CYP1A2PPARAPPARGSMN1; SMN2POLB
SCHEMBL1304996 0.86 PTGIR (0.38) CYP1A2PPARAPPARGSMN1; SMN2POLB
SCHEMBL1304682 0.86 ALOX5 (0.43) PPARAPPARGSMN1; SMN2POLBFFAR1
SCHEMBL1304974 0.85 MAOB (0.38) PPARASMN1; SMN2POLBFFAR1ALOX5
SCHEMBL1304251 0.85 LDHA (0.41) SMN1; SMN2POLBALOX5ALDH1A1RAB9A
SCHEMBL1305107 0.85 L3MBTL1 (0.41) CYP1A2SMN1; SMN2POLBLMNAHTT
SCHEMBL1305429 0.85 HDAC1 (0.46) SMN1; SMN2POLBLMNAHTTALOX5

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 13 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-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