SCHEMBL6798495

SCHEMBL6798495

CO[C@H](C(=O)NOCc1ccccc1)C(CC(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.45
MMP1 P03956 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ACE P12821 5/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 1/20 0.43
PSMB5 P28074 1/20 0.43
MME P08473 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL8601030 0.86 ECE1 (0.49) ECE1MMP1NPC1RAB9ACTSK
SCHEMBL8085479 0.81 FAAH (0.42) MMP1NPC1RAB9A
SCHEMBL1458342 0.81 ECE1 (0.55) ECE1NPC1RAB9ACTSKPSMB5
SCHEMBL10793880 0.81 NPC1 (0.51) NPC1RAB9A
SCHEMBL10793891 0.81 NPC1 (0.51) NPC1RAB9A
SCHEMBL8872910 0.79 ECE1 (0.52) ECE1MMP1NPC1RAB9ACTSK
SCHEMBL8872913 0.79 ECE1 (0.52) ECE1MMP1NPC1RAB9ACTSK
SCHEMBL10790971 0.77 LTA4H (0.53) NPC1RAB9A
SCHEMBL6946518 0.77 SLC1A3 (0.49) MMP1CTSKCTSLPSMB5CTSB
SCHEMBL6946515 0.77 SLC1A3 (0.49) MMP1CTSKCTSLPSMB5CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
EP-1062202-B1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARM (GB) 2003-01-15 EP disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-1062202-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-12-27 EP disclosed
EP-0835240-B1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-11-02 EP disclosed
WO-1999046241-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-16 WO disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
EP-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed