SCHEMBL7438845

SCHEMBL7438845

N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H]1Oc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.57
CTSK P43235 14/20 0.57
CTSS P25774 10/20 0.57
LNPEP Q9UIQ6 1/20 0.44
CTSB P07858 1/20 0.41
CCKBR P32239 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
SCHEMBL7361168 0.92 CTSL (0.66) CTSLCTSKCTSSCTSB
SCHEMBL7363047 0.92 CTSL (0.66) CTSLCTSKCTSSCTSB
SCHEMBL7451447 0.81 CTSL (0.64) CTSLCTSKCTSSCTSB
SCHEMBL7436896 0.81 CTSK (0.67) CTSLCTSKCTSSCTSB
SCHEMBL8158075 0.77 CTSL (0.61) CTSLCTSKCTSSCTSB
SCHEMBL7506810 0.77 CTSL (0.61) CTSLCTSKCTSSCTSB
SCHEMBL7443856 0.73 CTSK (0.56) CTSLCTSKCTSSCTSB
SCHEMBL7447217 0.73 CTSL (0.72) CTSLCTSKCTSSCTSB
SCHEMBL7494546 0.72 CTSK (0.72) CTSLCTSKCTSSCTSB
SCHEMBL7451990 0.72 CTSL (0.61) CTSLCTSKCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP claimed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP claimed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO claimed
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed