SCHEMBL7785189

SCHEMBL7785189

O=C(O)CC(=O)CC(=O)CF

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
SRR Q9GZT4 1/20 0.44
MMP12 P39900 1/20 0.33
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL363419 0.94
Water SCHEMBL10699759 0.91
SCHEMBL320485 0.84 LDHA (0.61) LDHASRRMMP12LMNAALKBH5
SCHEMBL320091 0.84 LDHA (0.61) LDHASRRMMP12LMNAALKBH5
SCHEMBL9971728 0.84
SCHEMBL2184678 0.80 LDHA (0.67) LDHASRRMMP12LMNAALKBH5
SCHEMBL28522 0.80 LDHA (0.67) LDHASRRMMP12LMNAALKBH5
Lindane SCHEMBL8746980 0.79 LDHA (0.36) LDHASRR
SCHEMBL15422862 0.77 LDHA (0.61) LDHASRRMMP12LMNAALKBH5
SCHEMBL11603188 0.77 LDHA (0.61) LDHASRRMMP12LMNAALKBH5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141373-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2001-10-10 EP disclosed
WO-2000036134-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS Forschungszentrum Jülich GmbH (DE) 2000-06-22 WO disclosed