SCHEMBL1304996

SCHEMBL1304996

CC(COc1ccc(N(C(N)=O)c2ccc(F)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.38
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1304563 0.90 MAOA (0.39) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1305528 0.87 SMN1; SMN2 (0.36) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1306105 0.86 CYP1A2 (0.39) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1304907 0.85 MAOB (0.39) PTGIRPPARACYP1A2PPARGKDM4E
SCHEMBL1305269 0.84 CYP1A2 (0.37) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL1304974 0.84 MAOB (0.38) PTGIRPPARAPPARDSMN1; SMN2POLB
SCHEMBL1304682 0.82 ALOX5 (0.43) PPARAPPARGSMN1; SMN2POLB
SCHEMBL1305298 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL1305107 0.81 L3MBTL1 (0.41) ALDH1A1MAPTCYP1A2TSHRCYP3A4
SCHEMBL1305429 0.81 HDAC1 (0.46) ALDH1A1MEN1KMT2AMAPTTSHR

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 17 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-20160280764-A1 Glycation Cross-link Breakers to Increase Resistance to Enzymatic Degradation NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY 2016-09-29 US disclosed
US-9309304-B2 Glycation cross-link breakers to increase resistance to enzymatic degradation CORNELL UNIVERSITY (US) 2016-04-12 US disclosed
US-20130310539-A1 Glycation Cross-link Breakers to Increase Resistance to Enzymatic Degradation NEW YORK SOCIETY FOR THE RELIEF OF THE RUPTURED AND CRIPPLED, MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY 2013-11-21 US disclosed
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