SCHEMBL6801571

SCHEMBL6801571

CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)[C@H](CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.50
MMP9 P14780 3/20 0.50
ANPEP P15144 2/20 0.50
LTA4H P09960 1/20 0.50
LAP3 P28838 1/20 0.50
NPEPPS P55786 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
MMP3 P08254 10/20 0.47
MMP7 P09237 8/20 0.47
MMP1 P03956 11/20 0.47
MMP8 P22894 2/20 0.47
ADAM17 P78536 2/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
FCER2 P06734 5/20 0.45

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
SCHEMBL4420626 0.94 MMP2 (0.55) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7654835 0.88 MMP2 (0.59) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL13696746 0.83 MMP2 (0.70) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL4422495 0.83 MMP2 (0.70) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7883062 0.83 MMP2 (0.70) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7883057 0.83 MMP2 (0.70) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL4422794 0.82 MMP2 (0.69) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7081044 0.79 MMP2 (0.50) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7112357 0.78 CTSK (0.52) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7118116 0.78 CTSK (0.52) MMP2MMP9ANPEPLTA4HLAP3

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 4 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