SCHEMBL8608764

SCHEMBL8608764

CCCC(C(=O)N1CCCCC1)N(C)C(=O)O[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.39
MMP2 P08253 4/20 0.39
MMP8 P22894 4/20 0.39
MMP3 P08254 3/20 0.39
CTSK P43235 3/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
REN P00797 3/20 0.35
FOLH1 Q04609 2/20 0.33
CACNA1B Q00975 2/20 0.32
MMP13 P45452 1/20 0.31

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
SCHEMBL8895820 0.83 ACE (0.41) CTSKCTSLCTSBCTSSREN
SCHEMBL8613299 0.79 FOLH1 (0.41) FOLH1
SCHEMBL8610410 0.72 FOLH1 (0.40) MMP1MMP2MMP8FOLH1
SCHEMBL8608851 0.72 FOLH1 (0.40) MMP1MMP2MMP8FOLH1
SCHEMBL8612047 0.71 FOLH1 (0.37) FOLH1
SCHEMBL8608760 0.68 FOLH1 (0.44) MMP1MMP2MMP8MMP3FOLH1
SCHEMBL27630987 0.65 TDP1 (0.46) MMP1MMP2MMP8
SCHEMBL3605562 0.64 MMP1 (0.45) MMP1MMP2MMP8MMP3CTSK
SCHEMBL23241332 0.64 L3MBTL1 (0.44) MMP1MMP2MMP8MMP3
SCHEMBL8498746 0.64 L3MBTL1 (0.44) MMP1MMP2MMP8MMP3

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 3 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-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