SCHEMBL7283203

SCHEMBL7283203

O=C(O)CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ REN P00797 2/20 0.43
▸ MME P08473 7/20 0.42
▸ ECE1 P42892 7/20 0.42
▸ CTSS P25774 1/20 0.41
▸ ACE P12821 7/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ MMP11 P24347 1/20 0.39
▸ MMP13 P45452 2/20 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
SCHEMBL7274969 0.94 CTSL (0.45) CTSLCASP3RENMMEECE1
SCHEMBL10718613 0.93 CTSL (0.45) CTSLCASP3RENMMEECE1
SCHEMBL7277678 0.92 MME (0.48) CTSLMMEECE1ACEMMP2
SCHEMBL10718460 0.91 REN (0.47) CTSLCASP3RENMMEECE1
SCHEMBL7286158 0.88 MMP2 (0.48) CTSLCASP3RENMMEECE1
SCHEMBL10720793 0.87 REN (0.53) CASP3RENMMEECE1CTSB
SCHEMBL10725310 0.87 REN (0.53) CASP3RENMMEECE1CTSB
SCHEMBL10724555 0.87 REN (0.53) CASP3RENMMEECE1CTSB
SCHEMBL7274934 0.87 REN (0.45) CTSLCASP3RENMMEECE1
SCHEMBL10716091 0.85 REN (0.44) CTSLCASP3RENCTSSCASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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