SCHEMBL8017353

SCHEMBL8017353

CCC(C)C(NC=O)C(=O)NC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
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 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CNR1 P21554 2/20 0.34
DAGLB Q8NCG7 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
ANPEP P15144 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
ENPEP Q07075 7/20 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
SCHEMBL2377592 0.79 ALDH1A1 (0.53) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL9825702 0.79 ALDH1A1 (0.53) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL16623913 0.79 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL2377589 0.79 ALDH1A1 (0.53) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL16623912 0.79 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL18098723 0.79 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL16623919 0.79 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL12733456 0.79 ALDH1A1 (0.53) ALDH1A1MMEACECPA1ACE2
SCHEMBL16623911 0.79 ALDH1A1 (0.40) ALDH1A1ADH1BADH1CADH1AMME
SCHEMBL8020550 0.77 EPHX1 (0.49) ALDH1A1L3MBTL1MEN1KMT2A

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 8 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
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
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