SCHEMBL6948792

SCHEMBL6948792

O=C(O)C1(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.56
MMP12 P39900 5/20 0.56
MMP14 P50281 5/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
ABCB11 O95342 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
MMP8 P22894 1/20 0.44
ADAM17 P78536 1/20 0.44
FPR2 P25090 4/20 0.41
PROKR1 Q8TCW9 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL6950652 0.89 MMP2 (0.58) MMP13MMP12MMP14MMP2MMP9
SCHEMBL6946980 0.87 MMP13 (0.52) MMP13MMP12MMP14MMP2MMP9
SCHEMBL6035783 0.87 MMP13 (0.58) MMP13MMP12MMP14MMP2FPR2
SCHEMBL6943119 0.87 MMP13 (0.52) MMP13MMP12MMP14MMP2FPR2
SCHEMBL6952614 0.86 MMP13 (0.52) MMP13MMP12MMP14MMP2MMP9
SCHEMBL6036629 0.81 TP53 (0.53) MMP13MMP12MMP14MMP2MMP9
SCHEMBL7971170 0.79 MMP13 (0.53) MMP13MMP12MMP14FPR2PROKR1
SCHEMBL6943318 0.77 ADAM10 (0.59) MMP13MMP14MMP2MMP9ABCB11
SCHEMBL6035791 0.77 MMP13 (0.53) MMP13MMP12MMP14MMP2MMP9
SCHEMBL6036011 0.77 MMP13 (0.55) MMP13MMP12MMP14MMP2FPR2

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-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
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