SCHEMBL7287432

SCHEMBL7287432

CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)CS(=O)(=O)c1ccoc1C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ MME P08473 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ REN P00797 7/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP3 P08254 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ ECE1 P42892 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
SCHEMBL7280066 0.90 MME (0.45) CTSKCTSSMMEACECPA1
SCHEMBL7267552 0.85 CTSK (0.45) CTSKCTSSMMEACECPA1
SCHEMBL7268860 0.85 CTSK (0.42) CTSKCTSSMMEACECPA1
SCHEMBL7268423 0.85 CTSK (0.42) CTSKCTSSMMEACECPA1
SCHEMBL7288341 0.84 CTSK (0.41) CTSKCTSSMMEACECPA1
SCHEMBL7274591 0.84 CTSK (0.40) CTSKCTSSMMEACECPA1
SCHEMBL7287836 0.84 CTSS (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7278238 0.83 CTSK (0.43) CTSKCTSSMMEACECPA1
SCHEMBL7267197 0.83 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7288315 0.82 CTSK (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
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