SCHEMBL3975889

SCHEMBL3975889

CCc1oc(-c2cccc(C(F)(F)F)c2)nc1CI.CCc1oc(-c2cccc(C(F)(F)F)c2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.37
PPARA Q07869 8/20 0.37
PPARD Q03181 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC16A3 O15427 10/20 0.36
SLC16A1 P53985 10/20 0.36
MCTS1 Q9ULC4 2/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1928298 0.96 PPARA (0.40) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL4382436 0.92 PPARA (0.39) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL5178764 0.91 ALDH1A1 (0.44) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL14281457 0.88 ALDH1A1 (0.47) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL3971095 0.88 ALDH1A1 (0.47) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL3973054 0.88 ALDH1A1 (0.47) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL4478526 0.88 PPARA (0.41) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL4373453 0.88 PPARA (0.41) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL1928969 0.85 SLC16A3 (0.43) PPARGPPARAPPARDALDH1A1KMT2A
SCHEMBL1928971 0.85 SLC16A3 (0.43) PPARGPPARAPPARDALDH1A1KMT2A

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-1778655-B1 2 - { - 3 2 - (PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYLMETHOXY}-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDS (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed