SCHEMBL7286352

SCHEMBL7286352

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.44
▸ REN P00797 5/20 0.44
▸ CTSB P07858 4/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ ACE P12821 1/20 0.36

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
SCHEMBL10716091 0.91 REN (0.44) CTSLRENCTSBCASP3CTSS
SCHEMBL10718613 0.86 CTSL (0.45) CTSLRENCTSBCASP3CTSS
SCHEMBL10718584 0.83 REN (0.46) CTSLRENCTSBCASP3CTSS
SCHEMBL7283203 0.83 CTSL (0.43) CTSLRENCTSBCASP3CTSS
SCHEMBL7274969 0.83 CTSL (0.45) CTSLRENCTSBCASP3CTSS
SCHEMBL10718460 0.82 REN (0.47) CTSLRENCTSBCASP3CTSS
SCHEMBL7274934 0.82 REN (0.45) CTSLRENCTSBCASP3CTSS
SCHEMBL7286074 0.82 CTSL (0.42) CTSLRENCTSBCASP3CTSS
SCHEMBL10762553 0.82 CTSL (0.45) CTSLRENCTSBCASP3CTSS
SCHEMBL7277678 0.82 MME (0.48) CTSLACE

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