SCHEMBL3370797

SCHEMBL3370797

CCc1cccc(COCCCOCc2nc(-c3cccc(OC)c3)oc2C)c1C(=O)O.CCc1oc(-c2cccc(OC)c2)nc1CI

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.47
VDR P11473 3/20 0.45
PPARD Q03181 2/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 5/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL3297728 0.93 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1TSHRHPGD
SCHEMBL3369646 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1TSHRHPGD
SCHEMBL3372963 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EVDRMAPK1TSHR
SCHEMBL13114663 0.87 VDR (0.49) ALDH1A1KDM4EVDRPPARDMAPK1
SCHEMBL3293343 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMAPK1TSHRHPGD
SCHEMBL3291250 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EVDRMAPK1TSHR
SCHEMBL3368615 0.80 PPARA (0.36) ALDH1A1VDRPPARDPPARGPPARA
SCHEMBL3373510 0.79 KDM4E (0.49) ALDH1A1KDM4EVDRPPARDMAPK1
SCHEMBL3368702 0.78 PPARA (0.41) PPARDPPARGPPARA
SCHEMBL3372543 0.78 THRB (0.45) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2

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