SCHEMBL7654835

SCHEMBL7654835

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.59
MMP3 P08254 16/20 0.59
MMP7 P09237 15/20 0.59
MMP1 P03956 13/20 0.58
MMP9 P14780 3/20 0.58
MMP8 P22894 2/20 0.58
ADAM17 P78536 1/20 0.58
MMP12 P39900 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
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
FCER2 P06734 1/20 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
SCHEMBL13696746 0.93 MMP2 (0.70) MMP2MMP3MMP7MMP1MMP9
SCHEMBL7883062 0.93 MMP2 (0.70) MMP2MMP3MMP7MMP1MMP9
SCHEMBL4422495 0.93 MMP2 (0.70) MMP2MMP3MMP7MMP1MMP9
SCHEMBL7883057 0.93 MMP2 (0.70) MMP2MMP3MMP7MMP1MMP9
SCHEMBL4422794 0.92 MMP2 (0.69) MMP2MMP3MMP7MMP1MMP9
SCHEMBL6801571 0.88 MMP2 (0.50) MMP2MMP3MMP7MMP1MMP9
SCHEMBL7651203 0.86 MMP2 (0.67) MMP2MMP3MMP7MMP1MMP9
SCHEMBL6803244 0.86 MMP2 (0.67) MMP2MMP3MMP7MMP1MMP9
SCHEMBL7651206 0.86 MMP2 (0.67) MMP2MMP3MMP7MMP1MMP9
SCHEMBL6797912 0.84 MMP2 (0.65) MMP2MMP3MMP7MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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