SCHEMBL13635383

SCHEMBL13635383

Cc1ccc(-c2nc(COC[C@H]3CCCC(COC(C)(C)C(=O)OC(C)(C)C)C3)c(C(C)C)o2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 2/20 0.33
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CETP P11597 2/20 0.30

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
SCHEMBL13864868 1.00 PPARA (0.34) PPARAPPARGPPARDNPC1USP2
SCHEMBL4381997 0.91 PPARA (0.39) PPARAPPARGPPARDNPC1USP2
SCHEMBL4484618 0.91 PPARA (0.39) PPARAPPARGPPARDNPC1USP2
SCHEMBL4484621 0.91 PPARA (0.39) PPARAPPARGPPARDNPC1USP2
SCHEMBL4472882 0.91 PPARA (0.39) PPARAPPARGPPARDNPC1USP2
SCHEMBL4378274 0.88 PPARA (0.36) PPARAPPARGPPARDNPC1USP2
SCHEMBL14281494 0.82 PPARG (0.41) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4388960 0.81 PPARG (0.40) PPARAPPARGPPARD
SCHEMBL4389972 0.81 PPARG (0.40) PPARAPPARGPPARD
SCHEMBL4483727 0.81 PPARG (0.40) PPARAPPARGPPARD

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-1789402-B1 2-{-3-2-(PHENYL)-OXAZOL-4-YLMETHOXYMETHYL!-CYCLOHEXYLMETHOXY };-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDES (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-18 EP disclosed