SCHEMBL7556071

SCHEMBL7556071

CCC(C)C(N[C]=O)C(=O)NC(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CTSS P25774 2/20 0.37
CTSK P43235 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ANPEP P15144 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPEP Q07075 9/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12733456 0.79 ALDH1A1 (0.53) ALDH1A1CTSSCTSKMMEACE
SCHEMBL8024023 0.79 ALDH1A1 (0.53) ALDH1A1CTSSCTSKMMEACE
SCHEMBL5052005 0.77 ENPEP (0.39) ALDH1A1CTSSCTSKMMEACE
SCHEMBL8016718 0.77 ENPEP (0.39) ALDH1A1CTSSCTSKMMEACE
SCHEMBL8006750 0.76 EPHX1 (0.48) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8017536 0.76 POLB (0.41) ALDH1A1POLB
SCHEMBL7405326 0.74 ALDH1A1 (0.37) ALDH1A1CTSSCTSKL3MBTL1CTSL
SCHEMBL8017353 0.74 ALDH1A1 (0.49) ALDH1A1CTSSCTSKMMEACE
SCHEMBL8017357 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8019727 0.73 ALDH1A1 (0.36) ALDH1A1CTSSCTSKL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US 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
WO-1997047599-A1 SUCCINAMIDE DERIVATIVES USEFUL AS TNF- AND/OR MMP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-18 WO disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP 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
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO 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