SCHEMBL4384388

SCHEMBL4384388

CC(C)c1oc(-c2cccc(C(F)(F)F)c2)nc1CI.CC(C)c1oc(-c2cccc(C(F)(F)F)c2)nc1COC[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
PPARA Q07869 8/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC16A3 O15427 5/20 0.36
SLC16A1 P53985 5/20 0.36
MCTS1 Q9ULC4 3/20 0.36
PPARD Q03181 3/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 1/20 0.33
CETP P11597 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5484164 0.96 PPARG (0.40) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL4478661 0.96 PPARG (0.40) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL4382433 0.96 PPARG (0.40) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL4482451 0.96 PPARG (0.40) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL4373520 0.96 PPARG (0.40) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL4377242 0.91 PPARA (0.39) PPARGPPARAPPARDCETP
SCHEMBL4382436 0.90 PPARA (0.39) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL4389989 0.89 SLC16A3 (0.42) ALDH1A1KMT2ASLC16A3SLC16A1MCTS1
SCHEMBL4383910 0.89 SLC16A3 (0.42) ALDH1A1KMT2ASLC16A3SLC16A1MCTS1
SCHEMBL4391944 0.88 PPARG (0.38) PPARGPPARASLC16A3SLC16A1MCTS1

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