SCHEMBL6945478

SCHEMBL6945478

CN1C(=O)N(CCCC(CS(=O)(=O)N(C)Cc2cc3ccccc3o2)C(=O)NO)C(=O)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
MMP13 P45452 3/20 0.42
MMP9 P14780 2/20 0.42
FCER2 P06734 1/20 0.33
ADAM17 P78536 2/20 0.32
MMP14 P50281 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER2 P43116 2/20 0.31
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
HPGD P15428 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL6946597 0.91 MMP2 (0.35) MMP2MMP3MMP13MMP9MMP14
SCHEMBL7478276 0.88 MMP2 (0.37) MMP2MMP3MMP13MMP9FCER2
SCHEMBL6949501 0.88 MMP13 (0.33) MMP2MMP3MMP13MMP9MMP14
SCHEMBL6952757 0.79 MMP3 (0.48) MMP2MMP3MMP13MMP9ADAM17
SCHEMBL6943124 0.77 MMP2 (0.54) MMP2MMP3MMP13MMP9ADAM17
SCHEMBL6943088 0.75 MMP2 (0.49) MMP2MMP3MMP13MMP9ADAM17
SCHEMBL6946816 0.75 MMP13 (0.40) MMP2MMP3MMP13MMP9ADAM17
SCHEMBL6949235 0.74 MMP2 (0.43) MMP2MMP3MMP13MMP9ADAM17
SCHEMBL6946800 0.73 MMP2 (0.49) MMP2MMP3MMP13MMP9ADAM17
SCHEMBL6947014 0.71 MMP2 (0.49) MMP2MMP3MMP13MMP9ADAM17

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 2 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