SCHEMBL8609901

SCHEMBL8609901

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.52
PDF Q9HBH1 7/20 0.49
MMP1 P03956 5/20 0.46
MMP3 P08254 5/20 0.46
MMP9 P14780 5/20 0.46
MMP2 P08253 2/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
ACE P12821 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
RRM1 P23921 1/20 0.34
RRM2 P31350 1/20 0.34
RRM2B Q7LG56 1/20 0.34

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
SCHEMBL20628537 0.74 MME (0.69) MMEMMP1MMP3MMP9MMP2
SCHEMBL8613311 0.73 FOLH1 (0.50) PDFMMP1MMP3MMP9MMP2
SCHEMBL14282150 0.71 PDF (0.70) PDFMMP1MMP3MMP9MMP2
SCHEMBL14779147 0.70 PDF (0.51) PDF
SCHEMBL8269110 0.69 MME (0.61) MMEMMP1MMP3MMP9MMP2
SCHEMBL10424915 0.68 MME (0.51) MMEMMP1MMP3MMP9MMP2
SCHEMBL14011129 0.68 MME (0.51) MMEMMP1MMP3MMP9MMP2
SCHEMBL8773896 0.67 MME (0.60) MMEPDFMMP1MMP3MMP9
SCHEMBL14566818 0.67 MMP1 (0.71) PDFMMP1MMP3MMP9MMP2
SCHEMBL8189153 0.67 MMP1 (0.71) PDFMMP1MMP3MMP9MMP2

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