SCHEMBL838758

SCHEMBL838758

CC(C)OC[C@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
OR51E2 Q9H255 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TET2 Q6N021 3/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TET3 O43151 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL20703280 1.00 PGK1 (0.46) PGK1PGK2OR51E2TP53SMN1; SMN2
SCHEMBL7400607 1.00 PGK1 (0.46) PGK1PGK2OR51E2TP53SMN1; SMN2
SCHEMBL3422576 0.77 GABRR1 (0.42) TP53HPGDHTT
SCHEMBL838795 0.76 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTT
SCHEMBL840194 0.76 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTT
SCHEMBL838796 0.76 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTT
Acetic Acid SCHEMBL3254339 0.75 MAPK1 (0.42) TP53SMN1; SMN2HPGDHTT
SCHEMBL29115716 0.75 ALDH1A1 (0.39) HPGD
SCHEMBL29115715 0.75 ALDH1A1 (0.39) HPGD
SCHEMBL7392053 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed