SCHEMBL6950299

SCHEMBL6950299

C=C(CCCN1C(=O)N(C)C(C)(C)C1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.42
MMP2 P08253 10/20 0.35
MMP9 P14780 8/20 0.35
MMP3 P08254 7/20 0.35
MMP13 P45452 7/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
TBXAS1 P24557 2/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 8/20 0.32
MMP8 P22894 5/20 0.32
MMP7 P09237 2/20 0.31
MMP14 P50281 2/20 0.31
ADAM17 P78536 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
SCHEMBL4827863 0.83 PLA2G7 (0.46) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL6949966 0.74 PLA2G7 (0.44) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL7985258 0.74 PLA2G7 (0.36) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL7985260 0.74 PLA2G7 (0.36) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL11117341 0.73 ALDH1A1 (0.56) TBXAS1KMT2A
SCHEMBL7603860 0.73 PLA2G7 (0.40) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL7968322 0.72 PLA2G7 (0.47) PLA2G7NR1H2NR1H3
SCHEMBL7518193 0.72 PLA2G7 (0.50) PLA2G7MMP2MMP9MMP3MMP13
SCHEMBL7078804 0.71 ALDH1A1 (0.42) TBXAS1KMT2A
SCHEMBL11807016 0.71 PTGS1 (0.41) PLA2G7KMT2A

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
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US disclosed
EP-1030836-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-08-30 EP disclosed
WO-1999024399-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1999-05-20 WO disclosed