SCHEMBL8613294

SCHEMBL8613294

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.49
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LAP3 P28838 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TYR P14679 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
SCHEMBL8613767 1.00 FOLH1 (0.49) FOLH1CTSSCTSKCTSLCTSB
SCHEMBL8612042 0.87 FOLH1 (0.52) FOLH1CTSSCTSKCTSLCTSB
SCHEMBL8612045 0.87 FOLH1 (0.52) FOLH1CTSSCTSKCTSLCTSB
SCHEMBL8610024 0.83 FOLH1 (0.51) FOLH1CTSSCTSKALDH1A1LAP3
SCHEMBL8614503 0.82 FOLH1 (0.50) FOLH1CTSSCTSKCTSLCTSB
SCHEMBL8895307 0.81 CTSK (0.57) CTSSCTSKCTSLCTSBMEN1
SCHEMBL8896567 0.81 CTSK (0.57) CTSSCTSKCTSLCTSBMEN1
SCHEMBL8610880 0.80 FOLH1 (0.61) FOLH1CTSSCTSKCTSLCTSB
SCHEMBL8610878 0.80 FOLH1 (0.61) FOLH1CTSSCTSKCTSLCTSB
SCHEMBL8895311 0.80 CTSL (0.46) CTSSCTSKCTSLCTSBMEN1

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