SCHEMBL7278094

SCHEMBL7278094

CCCC[C@H](NC(=O)[C@@H](CSCCOC(=O)C(C)(C)C)Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ FNTA P49354 1/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ REN P00797 4/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP3 P08254 2/20 0.35
▸ MMP1 P03956 1/20 0.35

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
SCHEMBL7269013 0.93 CTSK (0.42) CTSKCTSSMMEACECPA1
SCHEMBL7273511 0.90 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7268814 0.90 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7268176 0.89 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7269141 0.89 CTSK (0.41) CTSKCTSSMMEACECPA1
SCHEMBL7269132 0.89 CTSK (0.41) CTSKCTSSMMEACECPA1
SCHEMBL7275937 0.86 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7275944 0.86 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7278347 0.85 CTSK (0.42) CTSKCTSSMMEACECPA1
SCHEMBL7278341 0.85 CTSK (0.42) CTSKCTSSMMEACECPA1

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-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 — — EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 — — US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 — — EP disclosed
Send feedback