SCHEMBL9561569

SCHEMBL9561569

CC(C[N+](=O)[O-])(Oc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.49
PPARA Q07869 9/20 0.49
ADORA3 P0DMS8 1/20 0.40
ELANE P08246 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PPARD Q03181 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 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
SCHEMBL7823980 0.80 PPARG (0.35) PPARGPPARAALDH1A1HTTCYP3A4
SCHEMBL7087893 0.79 PPARG (0.57) PPARGPPARAADORA3ELANEPPARD
SCHEMBL1960387 0.78 PPARG (0.62) PPARGPPARAADORA3ELANEMEN1
SCHEMBL2517199 0.76 PPARG (0.54) PPARGPPARAADORA3ELANEALDH1A1
SCHEMBL3975913 0.76 PPARG (0.54) PPARGPPARAADORA3ELANEPPARD
SCHEMBL3465228 0.76 PPARG (0.58) PPARGPPARAADORA3ELANEPPARD
SCHEMBL10408167 0.75 LMNA (0.37) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL7221272 0.75 PPARG (0.43) PPARGPPARAALDH1A1HTTPPARD
SCHEMBL82055 0.75 PPARG (0.53) PPARGPPARAADORA3ELANEALDH1A1
SCHEMBL5322591 0.75 PPARG (0.79) PPARGPPARAPPARDPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268500-A Aromatic urea carboxylated compound MONTEFIORE MEDICAL CENTER (US) 1993-12-07 US disclosed
EP-0358724-A4 COMPOUND, COMPOSITION AND METHOD FOR THE REDUCTION OF LIPIDS THE MODIFICATION OF THE AFFINITY OF HEMOGLOBIN FOR OXYGEN AND THE PREVENTION OF PLATELET AGGREGATION. LALEZARI IRAJ (US) 1990-06-05 EP disclosed
EP-0358724-A1 COMPOUND, COMPOSITION AND METHOD FOR THE REDUCTION OF LIPIDS THE MODIFICATION OF THE AFFINITY OF HEMOGLOBIN FOR OXYGEN AND THE PREVENTION OF PLATELET AGGREGATION LALEZARI, Iraj (US) 1990-03-21 EP disclosed
WO-1988010113-A1 COMPOUND, COMPOSITION AND METHOD FOR THE REDUCTION OF LIPIDS THE MODIFICATION OF THE AFFINITY OF HEMOGLOBIN FOR OXYGEN AND THE PREVENTION OF PLATELET AGGREGATION LALEZARI IRAJ (US) 1988-12-29 WO disclosed