SCHEMBL8613311

SCHEMBL8613311

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.50
PDF Q9HBH1 7/20 0.41
LAP3 P28838 2/20 0.35
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 2/20 0.32
ADAM17 P78536 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 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
SCHEMBL8612045 0.83 FOLH1 (0.52) FOLH1LAP3MMP9MMP8
SCHEMBL8612042 0.83 FOLH1 (0.52) FOLH1LAP3MMP9MMP8
SCHEMBL8610878 0.81 FOLH1 (0.61) FOLH1LAP3
SCHEMBL8610880 0.81 FOLH1 (0.61) FOLH1LAP3
SCHEMBL8614433 0.80 CTSK (0.48)
SCHEMBL8613294 0.77 FOLH1 (0.49) FOLH1LAP3
SCHEMBL8613767 0.77 FOLH1 (0.49) FOLH1LAP3
SCHEMBL8609901 0.73 MME (0.52) PDFMMP1MMP3MMP9ADAM17
SCHEMBL7308675 0.72 FOLH1 (0.53) FOLH1LAP3
SCHEMBL3222189 0.72 POLB (0.37) FOLH1LAP3MMP1MMP2MMP8

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