SCHEMBL3368615

SCHEMBL3368615

CCc1oc(-c2ccc(C)c(C)c2)nc1CI.CCc1oc(-c2ccc(C)c(C)c2)nc1COCCCOCc1cccc(C)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.36
PPARG P37231 12/20 0.36
PPARD Q03181 6/20 0.33
VDR P11473 4/20 0.33
ALDH1A1 P00352 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL3293055 0.96 PPARA (0.39) PPARAPPARGPPARDVDRALDH1A1
SCHEMBL3368702 0.91 PPARA (0.41) PPARAPPARGPPARD
SCHEMBL3369298 0.88 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL3291378 0.87 PPARG (0.41) PPARAPPARGPPARDVDR
SCHEMBL3314538 0.87 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL3370894 0.86 PPARG (0.36) PPARAPPARGPPARDALDH1A1AURKA
SCHEMBL13114663 0.84 VDR (0.49) PPARAPPARGPPARDVDRALDH1A1
SCHEMBL3292464 0.83 PPARA (0.43) PPARAPPARGPPARD
SCHEMBL3295913 0.83 PPARG (0.39) PPARAPPARGPPARDALDH1A1
SCHEMBL3370797 0.80 ALDH1A1 (0.48) PPARAPPARGPPARDVDRALDH1A1

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 1 patent. 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