SCHEMBL7488252

SCHEMBL7488252

O=C(C[C@H](O)C(=O)O)OCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
TET2 Q6N021 6/20 0.38
TET3 O43151 2/20 0.38
TET1 Q8NFU7 1/20 0.38
OR51E2 Q9H255 1/20 0.34
FABP7 O15540 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3365673 0.86 HTT (0.59) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL975279 0.77 HTT (0.52) HTTFABP7TSHR
SCHEMBL23004700 0.76 HTT (0.47) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL2690771 0.75 HTT (0.50) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL10339411 0.72 SMN1; SMN2 (0.54) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL305092 0.72 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL17132189 0.72 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL17132190 0.72 SMN1; SMN2 (0.48) SMN1; SMN2TET2TET3TET1OR51E2
SCHEMBL974718 0.72 HTT (0.50) HTTSMN1; SMN2FABP7MEN1ALDH1A1
SCHEMBL15282112 0.71 SMN1; SMN2 (0.46) SMN1; SMN2TET2TET3TET1OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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