SCHEMBL8609103

SCHEMBL8609103

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSB P07858 4/20 0.46
CTSS P25774 4/20 0.46
CTSL P07711 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ACE2 Q9BYF1 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8609108 1.00 CTSK (0.46) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL7266856 0.84 ALDH1A1 (0.46) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL7266845 0.84 ALDH1A1 (0.46) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL24049971 0.84 ALDH1A1 (0.50) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL12485024 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL10831915 0.82 ALDH1A1 (0.51) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL23696190 0.82 ALDH1A1 (0.51) CTSKCTSBCTSSCTSLALDH1A1
SCHEMBL8610837 0.82 CTSS (0.47) CTSBCTSSCTSLALDH1A1MAPK1
SCHEMBL8610832 0.82 CTSS (0.47) CTSBCTSSCTSLALDH1A1MAPK1
SCHEMBL27324113 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025286-A None JP disclosed
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP disclosed
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-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 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
JP-H0625286-A PEPTIDE COMPOUND FUJISAWA PHARMACEUT CO LTD 1994-02-01 JP disclosed
CN-1057269-A Peptide compounds and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-25 CN 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
JP-H00625286-A 0001-01-01 JP disclosed