SCHEMBL7274931

SCHEMBL7274931

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CYP3A4 P08684 5/20 0.39
▸ 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
▸ MMP2 P08253 2/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ REN P00797 5/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL7274941 1.00 CTSK (0.42) CTSKCTSSCYP3A4MMEACE
SCHEMBL7276789 0.93 CTSK (0.41) CTSKCTSSCYP3A4MMEACE
SCHEMBL7276798 0.93 CTSK (0.41) CTSKCTSSCYP3A4MMEACE
SCHEMBL7276468 0.91 CTSK (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7276751 0.91 CTSK (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7276756 0.91 CTSK (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7278151 0.90 CTSK (0.45) CTSKCTSSCYP3A4MMEACE
SCHEMBL7278159 0.90 CTSK (0.45) CTSKCTSSCYP3A4MMEACE
SCHEMBL7268176 0.89 CTSK (0.46) CTSKCTSSCYP3A4MMEACE
SCHEMBL7273511 0.88 CTSK (0.44) CTSKCTSSCYP3A4MMEACE

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 2 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
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