SCHEMBL7398945

SCHEMBL7398945

CC(C)CSCC(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 3/20 0.38
METAP1 P53582 3/20 0.38
TET2 Q6N021 3/20 0.36
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
TET3 O43151 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34

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
SCHEMBL7398943 1.00 OR51E2 (0.40) OR51E2TP53SMN1; SMN2METAP2METAP1
SCHEMBL7442197 0.80
SCHEMBL724401 0.80
SCHEMBL10633598 0.78 APEX1 (0.41) TP53METAP2METAP1RNPEPSLC7A5
SCHEMBL10633609 0.78 APEX1 (0.41) TP53METAP2METAP1RNPEPSLC7A5
Carbamic Acid SCHEMBL28209462 0.77 METAP2 (0.41) METAP2METAP1RNPEPSLC7A5
SCHEMBL23085771 0.74 SLC7A5 (0.54) METAP2METAP1SLC7A5
SCHEMBL2128359 0.74 SLC7A5 (0.54) METAP2METAP1SLC7A5
SCHEMBL4955415 0.74 GPR84 (0.43) OR51E2TP53SMN1; SMN2METAP2METAP1
SCHEMBL7446893 0.74 GPR84 (0.43) OR51E2TP53SMN1; SMN2METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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