SCHEMBL8614433

SCHEMBL8614433

CC(C)C[C@H](OC(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
CTSS P25774 5/20 0.48
CTSB P07858 5/20 0.48
CTSL P07711 4/20 0.48
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8897466 0.87 CTSK (0.54) CTSKCTSSCTSBCTSLMEN1
SCHEMBL8896176 0.86 CTSK (0.59) CTSKCTSSCTSBCTSL
SCHEMBL8895307 0.82 CTSK (0.57) CTSKCTSSCTSBCTSLMEN1
SCHEMBL8896567 0.82 CTSK (0.57) CTSKCTSSCTSBCTSLMEN1
SCHEMBL8613311 0.80 FOLH1 (0.50)
SCHEMBL16867535 0.75 CTSK (0.49) CTSKCTSBMEN1KMT2A
SCHEMBL16847826 0.74 CTSL (0.54) CTSKCTSSCTSBCTSLMEN1
SCHEMBL8898663 0.73 HSP90AA1 (0.54) CTSKCTSSCTSBCTSLMEN1
SCHEMBL8612448 0.72 ALDH1A1 (0.56) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL8895941 0.72 CTSB (0.56) CTSKCTSSCTSBCTSLMEN1

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-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