SCHEMBL6952001

SCHEMBL6952001

CC(C(CCCN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO)S(=O)(=O)NCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.44
MMP3 P08254 7/20 0.44
MMP2 P08253 7/20 0.44
MMP9 P14780 6/20 0.44
MMP8 P22894 9/20 0.39
MMP1 P03956 7/20 0.39
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAM17 P78536 2/20 0.37
POLB P06746 1/20 0.37
MMP7 P09237 1/20 0.36
MMP14 P50281 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL7424880 0.92 POLB (0.39) MMP13MMP3MMP2MMP9CYP2D6
SCHEMBL6947014 0.83 MMP2 (0.49) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6947010 0.82 MMP2 (0.45) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6948795 0.78 KMT2A (0.40) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6948796 0.74 PLA2G7 (0.39) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6952757 0.73 MMP3 (0.48) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6948807 0.71 MMP3 (0.49) MMP13MMP3MMP2MMP9MMP8
SCHEMBL7424874 0.70 ALDH1A1 (0.41) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6954462 0.69 MMP3 (0.56) MMP13MMP3MMP2MMP9MMP8
SCHEMBL6943088 0.67 MMP2 (0.49) MMP13MMP3MMP2MMP9MMP8

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 claimed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 US claimed
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