SCHEMBL6798499

SCHEMBL6798499

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.54
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 1/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
MMP7 P09237 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8090897 1.00 SLC1A1 (0.54) SLC1A1NPC1RAB9AMMP2MMP9
SCHEMBL7370874 0.85 MMP2 (0.53) SLC1A1NPC1RAB9AMMP2MMP9
SCHEMBL6804221 0.81 MMP1 (0.53) MMP2MMP9MMP8MMP7MMP12
SCHEMBL8085480 0.79 GRIK1 (0.46) SLC1A1NPC1RAB9AMMP9
SCHEMBL1458342 0.78 ECE1 (0.55) NPC1RAB9AKDM4E
SCHEMBL7277804 0.77 ACE2 (0.46) SLC1A1NPC1RAB9AMMP2MMP9
SCHEMBL12304173 0.76 NPC1 (0.56) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL7416043 0.76 NPC1 (0.51) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL5557381 0.75 LTA4H (0.47) NPC1RAB9A
SCHEMBL27368867 0.75 SLC1A1 (0.50) SLC1A1ANPEPRNPEPDNPEPACE2

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