SCHEMBL7288315

SCHEMBL7288315

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 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
▸ HRH4 Q9H3N8 1/20 0.44
▸ MMP2 P08253 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ REN P00797 6/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ TACR1 P25103 1/20 0.39

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 1.00 CTSK (0.48) CTSKCTSSMMEACECPA1
SCHEMBL7268092 0.91 HRH4 (0.55) CTSKCTSSMMEACECPA1
SCHEMBL7275944 0.89 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7268176 0.89 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7275937 0.89 CTSK (0.46) CTSKCTSSMMEACECPA1
SCHEMBL7278151 0.89 CTSK (0.45) CTSKCTSSMMEACECPA1
SCHEMBL7278159 0.89 CTSK (0.45) CTSKCTSSMMEACECPA1
SCHEMBL7268814 0.88 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7273511 0.88 CTSK (0.44) CTSKCTSSMMEACECPA1
SCHEMBL7280871 0.88 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 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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