SCHEMBL6804648

SCHEMBL6804648

C=CCOC(=O)[C@@H](CC=C)[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 10/20 0.36
MMP3 P08254 10/20 0.36
MMP7 P09237 9/20 0.36
MMP1 P03956 8/20 0.36
TSHR P16473 2/20 0.36
MMP8 P22894 2/20 0.34
ADAM17 P78536 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8241269 0.85 MMP2 (0.40) MMP2MMP3MMP7MMP1TSHR
SCHEMBL8113441 0.82 TDP1 (0.41) TDP1TSHRRNPEPSLC7A5CYP3A4
SCHEMBL8113439 0.82 TDP1 (0.41) TDP1TSHRRNPEPSLC7A5CYP3A4
SCHEMBL4146664 0.81 MMP2 (0.40) TDP1MMP2MMP3MMP7MMP1
SCHEMBL6801843 0.81 MMP2 (0.40) TDP1MMP2MMP3MMP7MMP1
SCHEMBL6988899 0.81 MMP2 (0.40) TDP1MMP2MMP3MMP7MMP1
SCHEMBL13914220 0.81 MMP2 (0.36) TDP1MMP2MMP3MMP7MMP1
SCHEMBL6944781 0.81 MMP2 (0.40) TDP1MMP2MMP3MMP7MMP1
SCHEMBL7070415 0.81 MMP2 (0.40) TDP1MMP2MMP3MMP7MMP1
SCHEMBL15443387 0.81 TDP1 (0.45) TDP1MMP2MMP3MMP7MMP1

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