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SCHEMBL4383905

SCHEMBL4383905

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 16/20 0.41
▸ SLC16A1 P53985 16/20 0.41
▸ MCTS1 Q9ULC4 6/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL4389987 1.00 SLC16A3 (0.41) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL4391942 0.92 PPARG (0.35) SLC16A3SLC16A1MCTS1
SCHEMBL4375526 0.92 PPARG (0.35) SLC16A3SLC16A1MCTS1
SCHEMBL4378270 0.89 PPARA (0.34) SLC16A3SLC16A1
SCHEMBL4386895 0.88 PPARG (0.42) —
SCHEMBL4380738 0.88 PPARG (0.42) —
SCHEMBL4389989 0.87 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL4383910 0.87 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL3972569 0.87 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL4376904 0.86 PPARG (0.35) —

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