SCHEMBL3972569

SCHEMBL3972569

COc1cccc(-c2nc(CI)c(C(C)C)o2)c1.COc1cccc(-c2nc(CO[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 6)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 17/20 0.42
SLC16A1 P53985 17/20 0.42
MCTS1 Q9ULC4 5/20 0.39
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
SCHEMBL1930245 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL1929476 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL1930244 0.96 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL4389989 0.92 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL4383910 0.92 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL6265093 0.91 ALDH1A1 (0.44) SLC16A3SLC16A1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4479975 0.88 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1KMT2AALDH1A1
SCHEMBL3974627 0.88 ALDH1A1 (0.47) SLC16A3SLC16A1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3971072 0.88 ALDH1A1 (0.47) SLC16A3SLC16A1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4386165 0.88 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1KMT2AALDH1A1

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