SCHEMBL7451990

SCHEMBL7451990

O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H]1Oc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.61
CTSK P43235 13/20 0.61
CTSS P25774 9/20 0.61
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
HDAC8 Q9BY41 2/20 0.42
CTSB P07858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
GPR132 Q9UNW8 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
SCHEMBL7447217 0.92 CTSL (0.72) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL7451447 0.91 CTSL (0.64) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL8158075 0.83 CTSL (0.61) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL7506810 0.83 CTSL (0.61) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL7445605 0.83 CTSL (0.58) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL7462958 0.82 CTSL (0.59) CTSLCTSKCTSSHDAC8HDAC3
SCHEMBL7161878 0.81 CTSK (0.72) CTSLCTSKCTSSHDAC8CTSB
SCHEMBL7448392 0.81 CTSL (0.57) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL7480570 0.80 CTSL (0.57) CTSLCTSKCTSSITGB3ITGA2B
SCHEMBL7452213 0.80 CTSL (0.57) CTSLCTSKCTSS

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 8 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
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US 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