SCHEMBL7269882

SCHEMBL7269882

CCCC[C@H](NC(=O)[C@@H](CSc1ccc(O)cc1)Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.43
▸ CTSS P25774 1/20 0.43
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ REN P00797 3/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ CCKAR P32238 2/20 0.36
▸ CCKBR P32239 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 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
SCHEMBL7277747 0.91 CTSK (0.41) CTSKCTSSMMEACECPA1
SCHEMBL7275937 0.87 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7268176 0.87 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7275944 0.87 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7268233 0.87 CTSK (0.43) CTSKCTSSMMEACECPA1
SCHEMBL7267189 0.85 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7288315 0.85 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7273511 0.85 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7268814 0.85 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7269013 0.84 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
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