SCHEMBL4389989

SCHEMBL4389989

COc1cccc(-c2nc(CI)c(C(C)C)o2)c1.COc1cccc(-c2nc(COC[C@H]3CCC[C@@H](COC(C)(C)C(=O)O)C3)c(C(C)C)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 14/20 0.42
SLC16A1 P53985 14/20 0.42
MCTS1 Q9ULC4 6/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4383910 1.00 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL4494281 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL4386165 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL4386204 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL4479975 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL3972569 0.92 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL4375529 0.90 PPARG (0.38) SLC16A3SLC16A1MCTS1
SCHEMBL4391944 0.90 PPARG (0.38) SLC16A3SLC16A1MCTS1
SCHEMBL4384388 0.89 PPARG (0.38) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A
SCHEMBL1930245 0.88 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1ALDH1A1KMT2A

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