SCHEMBL8612045

SCHEMBL8612045

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.52
LAP3 P28838 2/20 0.37
CTSK P43235 3/20 0.35
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8612042 1.00 FOLH1 (0.52) FOLH1LAP3CTSKCTSSCTSL
SCHEMBL8613767 0.87 FOLH1 (0.49) FOLH1LAP3CTSKCTSSCTSL
SCHEMBL8613294 0.87 FOLH1 (0.49) FOLH1LAP3CTSKCTSSCTSL
SCHEMBL8610880 0.84 FOLH1 (0.61) FOLH1LAP3CTSKCTSSCTSL
SCHEMBL8610878 0.84 FOLH1 (0.61) FOLH1LAP3CTSKCTSSCTSL
SCHEMBL8613311 0.83 FOLH1 (0.50) FOLH1LAP3MMP9MMP8
SCHEMBL8897466 0.79 CTSK (0.54) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL8897470 0.78 CTSL (0.43) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL17739742 0.73 CTSS (0.37) CTSKCTSSCTSLCTSBMMP9
SCHEMBL8897791 0.73 ALDH1A1 (0.60) FOLH1ALDH1A1MEN1LMNAKMT2A

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