SCHEMBL7276756

SCHEMBL7276756

CCCC[C@H](NC(=O)[C@@H](CSC[C@H](COC(=O)CC)OC)Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CYP3A4 P08684 3/20 0.37
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.35
▸ TLR2 O60603 3/20 0.35
▸ REN P00797 5/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34

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
SCHEMBL7276751 1.00 CTSK (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7274787 0.94 TLR2 (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7274797 0.94 TLR2 (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7276468 0.93 CTSK (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7269047 0.91 CTSK (0.41) CTSKCTSSCYP3A4MMEACE
SCHEMBL7269058 0.91 CTSK (0.41) CTSKCTSSCYP3A4MMEACE
SCHEMBL7274941 0.91 CTSK (0.42) CTSKCTSSCYP3A4MMEACE
SCHEMBL7274931 0.91 CTSK (0.42) CTSKCTSSCYP3A4MMEACE
SCHEMBL7267884 0.87 CTSK (0.40) CTSKCTSSCYP3A4MMEACE
SCHEMBL7267871 0.87 CTSK (0.40) 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 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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