SCHEMBL6803242

SCHEMBL6803242

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BIRC2 Q13490 1/20 0.40
ANPEP P15144 1/20 0.40
ALOX5 P09917 1/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.37
MIF P14174 1/20 0.36
CTSB P07858 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL4428169 0.91 NPSR1 (0.43) NPSR1CA12CA2CA7CA9
SCHEMBL6804726 0.91 HSD17B10 (0.39) NPSR1ALOX5MMP2MMP3MMP7
SCHEMBL6798658 0.91 ALOX5 (0.38) NPSR1CA12CA2CA7CA9
SCHEMBL6801586 0.90 CAPN1 (0.36) NPSR1CA12CA2CA7CA9
SCHEMBL7376767 0.89 MMP2 (0.41) ANPEPALOX5MMP2MMP3MMP7
SCHEMBL6808419 0.88 NPSR1 (0.42) NPSR1CA12CA2CA7CA9
SCHEMBL4421716 0.83 MMP8 (0.42) NPSR1BIRC2MMP2MMP3MMP7
SCHEMBL4431902 0.83 MMP2 (0.39) NPSR1BIRC2MMP2MMP3MMP7
SCHEMBL4425332 0.83 MMP2 (0.39) NPSR1BIRC2MMP2MMP3MMP7
SCHEMBL4431971 0.83 CTSB (0.42) BIRC2MMP2MMP3MMP7MMP9

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 6 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
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-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