SCHEMBL7287836

SCHEMBL7287836

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MMP9 P14780 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MME P08473 2/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.41
▸ REN P00797 12/20 0.41
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ ECE1 P42892 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
SCHEMBL7278238 0.91 CTSK (0.43) CTSSCTSKMMP9MMP2MMP8
SCHEMBL7267552 0.90 CTSK (0.45) CTSSCTSKMMP9MMP2MMP8
SCHEMBL7269350 0.87 CTSK (0.40) CTSSCTSKMMP9MMP2MMP8
SCHEMBL7269345 0.87 CTSK (0.40) CTSSCTSKMMP9MMP2MMP8
SCHEMBL7276776 0.87 CTSS (0.41) CTSSCTSKMMP9MMEACE
SCHEMBL7269759 0.87 CTSK (0.41) CTSSCTSKMMP9MMEACE
SCHEMBL7276785 0.87 CTSS (0.41) CTSSCTSKMMP9MMEACE
SCHEMBL7278747 0.87 CTSK (0.39) CTSSCTSKMMP9MMP2MMP8
SCHEMBL7278741 0.87 CTSK (0.39) CTSSCTSKMMP9MMP2MMP8
SCHEMBL7267189 0.86 CTSK (0.48) CTSSCTSKMMP9MMP2MMP8

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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