SCHEMBL8614630

SCHEMBL8614630

CCCCCCN(C=O)C(=O)NC(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.38
PLA2G5 P39877 2/20 0.38
EPHX1 P07099 4/20 0.37
PLA2G10 O15496 3/20 0.37
CTSK P43235 1/20 0.36
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
ADH4 P08319 2/20 0.36
ADH1B P00325 1/20 0.36
ADH7 P40394 1/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 1/20 0.35
EPHX2 P34913 1/20 0.35
PSMB5 P28074 1/20 0.33

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
SCHEMBL6830441 0.78 EPHX1 (0.43) EPHX1CTSKMEN1FAAHMAPK1
SCHEMBL8614628 0.77 PLA2G2A (0.38) PLA2G2APLA2G5EPHX1PLA2G10CTSK
SCHEMBL8976800 0.75 PLA2G2A (0.35) PLA2G2APLA2G5EPHX1PLA2G10CTSK
SCHEMBL7684384 0.74 EPHX1 (0.52) EPHX1EPHX2
SCHEMBL7674457 0.72 FAAH (0.51) EPHX1ADH1CADH1AADH4FAAH
SCHEMBL24153519 0.70 ADH1C (0.39) EPHX1ADH1CADH1AADH4ADH1B
SCHEMBL8190526 0.70 ADH1C (0.44) EPHX1ADH1CADH1AADH4MEN1
SCHEMBL8120306 0.70 ADH1C (0.44) EPHX1ADH1CADH1AADH4MEN1
SCHEMBL10925543 0.70 ADH1C (0.44) EPHX1ADH1CADH1AADH4MEN1
SCHEMBL16142222 0.70 ADH1C (0.44) EPHX1ADH1CADH1AADH4MEN1

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