SCHEMBL8610024

SCHEMBL8610024

CC[C@H](C)[C@H](NC(=O)O[C@@H](CC(C)C)C(=O)O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.51
LAP3 P28838 2/20 0.42
ALDH1A1 P00352 1/20 0.40
ENPEP Q07075 2/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TYR P14679 1/20 0.34
CA2 P00918 1/20 0.33

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
SCHEMBL8614503 0.84 FOLH1 (0.50) FOLH1LAP3ALDH1A1CTSSCTSK
SCHEMBL8613767 0.83 FOLH1 (0.49) FOLH1LAP3ALDH1A1CTSSCTSK
SCHEMBL8613294 0.83 FOLH1 (0.49) FOLH1LAP3ALDH1A1CTSSCTSK
SCHEMBL8898663 0.80 HSP90AA1 (0.54) HSP90AA1HSP90AB1CTSSCTSK
SCHEMBL8898668 0.79 CTSL (0.41) HSP90AA1HSP90AB1CTSSCTSK
SCHEMBL8608760 0.78 FOLH1 (0.44) FOLH1LAP3ALDH1A1
SCHEMBL8610073 0.76 L3MBTL1 (0.45) FOLH1ALDH1A1L3MBTL1
SCHEMBL20707063 0.76 ENPEP (0.44) ALDH1A1ENPEPCTSSCTSKL3MBTL1
SCHEMBL14865078 0.76 ENPEP (0.44) ALDH1A1ENPEPCTSSCTSKL3MBTL1
SCHEMBL12654464 0.76 ENPEP (0.44) ALDH1A1ENPEPCTSSCTSKL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed