SCHEMBL7266649

SCHEMBL7266649

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.48
▸ CTSS P25774 1/20 0.48
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ TACR1 P25103 1/20 0.41
▸ CTNNB1 P35222 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ MMP3 P08254 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP2 P08253 1/20 0.38

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
SCHEMBL7267189 0.85 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7288315 0.85 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7268092 0.85 HRH4 (0.55) CTSKCTSSMMEACECPA1
SCHEMBL7275087 0.84 MMP8 (0.56) CTSKMMP3MMP1MMP9MMP8
SCHEMBL7275093 0.84 MMP8 (0.56) CTSKMMP3MMP1MMP9MMP8
SCHEMBL7275944 0.82 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7275937 0.82 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7268176 0.82 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7267552 0.81 CTSK (0.45) CTSKCTSSMMEACECPA1
SCHEMBL7280871 0.81 CTSK (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 — — EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 — — US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 — — US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 — — US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 — — US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
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