SCHEMBL7274969

SCHEMBL7274969

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.45
▸ REN P00797 4/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ MME P08473 4/20 0.40
▸ ECE1 P42892 4/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ACE P12821 3/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 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
SCHEMBL7283203 0.94 CTSL (0.43) CTSLRENCTSSCASP3MME
SCHEMBL10718613 0.92 CTSL (0.45) CTSLRENCTSSCASP3MME
SCHEMBL10718460 0.91 REN (0.47) CTSLRENCTSSCASP3MME
SCHEMBL7277678 0.90 MME (0.48) CTSLMMEECE1ACE
SCHEMBL7286158 0.89 MMP2 (0.48) CTSLRENCASP3MMEECE1
SCHEMBL7274934 0.86 REN (0.45) CTSLRENCTSSCASP3MME
SCHEMBL10716091 0.85 REN (0.44) CTSLRENCTSSCASP3CTSB
SCHEMBL10718705 0.85 REN (0.46) CTSLRENCTSSCASP3MME
SCHEMBL7308672 0.83 REN (0.46) CTSLRENCTSSCASP3MME
SCHEMBL7286352 0.83 CTSL (0.44) CTSLRENCTSSCASP3CTSB

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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