SCHEMBL3369646

SCHEMBL3369646

COc1cccc(-c2nc(CI)c(C)o2)c1.COc1cccc(-c2nc(COCCCOCc3cccc(C)c3C(=O)O)c(C)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 4/20 0.47
TSHR P16473 6/20 0.46
HPGD P15428 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL3372963 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3293343 0.96 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3291250 0.94 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3373510 0.90 KDM4E (0.49) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3372543 0.89 THRB (0.45) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3297728 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3370797 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTSHRHPGD
SCHEMBL3369918 0.87 PPARG (0.43) MAPTPPARGPPARATP53
SCHEMBL3371224 0.87 PPARG (0.43) KDM4EMAPTPPARGPPARATP53
SCHEMBL13114663 0.86 VDR (0.49) ALDH1A1KDM4EMAPTTSHRHPGD

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
EP-1902039-B1 6-OXAZOL-4-YLMETHOXY-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PPAR LIGANDS, METHODS FOR PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
EP-1902039-A1 6-OXAZOL-4-YLMETHOXY-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PPAR LIGANDS, METHODS FOR PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS Sanofi-Aventis (FR) 2008-03-26 EP disclosed
WO-2007000235-A1 6-OXAZOL-4-YLMETHOXY-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PPAR LIGANDS, METHODS FOR PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed