SCHEMBL6798658

SCHEMBL6798658

C=CCCC(CC(C)C)C(=O)N(C(=O)O)[C@@H](Cc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
MMP2 P08253 4/20 0.36
MMP7 P09237 2/20 0.36
MMP3 P08254 1/20 0.36
BIRC2 Q13490 1/20 0.35
MMP9 P14780 3/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
ACE P12821 1/20 0.34
CTSK P43235 1/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL6803242 0.91 NPSR1 (0.43) ALOX5MMP2MMP7MMP3BIRC2
SCHEMBL4425332 0.90 MMP2 (0.39) MMP2MMP7MMP3BIRC2MMP9
SCHEMBL4431902 0.90 MMP2 (0.39) MMP2MMP7MMP3BIRC2MMP9
SCHEMBL6804726 0.90 HSD17B10 (0.39) ALOX5MMP2MMP7MMP3NPSR1
SCHEMBL6804207 0.89 REN (0.36) MMP2MMP7MMP3BIRC2NPSR1
SCHEMBL7376767 0.88 MMP2 (0.41) ALOX5MMP2MMP7MMP3MMP9
SCHEMBL6801586 0.87 CAPN1 (0.36) ALOX5MMP2MMP7MMP3BIRC2
SCHEMBL4418750 0.82 MMP2 (0.38) MMP2MMP7MMP3BIRC2MMP9
SCHEMBL4428169 0.82 NPSR1 (0.43) MMP2MMP7MMP3BIRC2MMP9
SCHEMBL6805354 0.81 MMP2 (0.37) MMP2MMP7MMP3BIRC2MMP9

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 9 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
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
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed