SCHEMBL7348654

SCHEMBL7348654

CCC(Cc1ccc(OCCC2CCCCN2)cc1)(C(=O)O)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.43
MMP13 P45452 12/20 0.43
MMP1 P03956 11/20 0.43
CHEK2 O96017 1/20 0.38
LTA4H P09960 2/20 0.37
ADAM17 P78536 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL7345984 0.93 MMP13 (0.44) MMP9MMP13MMP1CHEK2ADAM17
SCHEMBL7357288 0.91 MMP9 (0.41) MMP9MMP13MMP1CHEK2ADAM17
SCHEMBL7409762 0.91 MMP13 (0.51) MMP9MMP13MMP1ADAM17
SCHEMBL7416424 0.89 MMP13 (0.44) MMP9MMP13MMP1ADAM17
SCHEMBL7352386 0.88 MMP1 (0.52) MMP9MMP13MMP1CHEK2LTA4H
SCHEMBL7350596 0.87 MMP1 (0.54) MMP9MMP13MMP1CHEK2LTA4H
SCHEMBL7347280 0.86 MMP13 (0.42) MMP9MMP13MMP1CHEK2ADAM17
SCHEMBL7349184 0.83 MMP1 (0.49) MMP9MMP13MMP1CHEK2ADAM17
SCHEMBL7412135 0.82 MMP13 (0.42) MMP9MMP13MMP1ADAM17
SCHEMBL7349141 0.82 MMP1 (0.52) MMP9MMP13MMP1CHEK2

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
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
EP-0973512-A1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-26 EP disclosed
EP-0970046-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-12 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed
WO-1998038163-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 WO disclosed
WO-1998037877-A1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 WO disclosed