SCHEMBL6943318

SCHEMBL6943318

N#Cc1ccc(OC2CCN(S(=O)(=O)CC3(C(=O)NO)CCOCC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 14/20 0.59
MMP2 P08253 13/20 0.59
MMP13 P45452 5/20 0.50
MMP14 P50281 2/20 0.50
MMP3 P08254 6/20 0.48
MMP9 P14780 6/20 0.48
MMP1 P03956 4/20 0.47
ADAM17 P78536 3/20 0.45
ABCB11 O95342 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL6943119 0.90 MMP13 (0.52) ADAM10MMP2MMP13MMP14
SCHEMBL6950652 0.88 MMP2 (0.58) ADAM10MMP2MMP13MMP14MMP3
SCHEMBL6950104 0.85 MMP13 (0.47) ADAM10MMP2MMP13MMP14MMP1
SCHEMBL6943142 0.85 HRH3 (0.49) ADAM10MMP2MMP13MMP14
SCHEMBL6035791 0.85 MMP13 (0.53) ADAM10MMP2MMP13MMP14MMP3
SCHEMBL6947588 0.82 MMP13 (0.49) ADAM10MMP2MMP13MMP14
SCHEMBL6036512 0.79 MMP2 (0.51) ADAM10MMP2MMP13MMP14MMP3
SCHEMBL6954248 0.78 MMP13 (0.47) ADAM10MMP2MMP13MMP14
SCHEMBL6948792 0.77 MMP13 (0.56) MMP2MMP13MMP14MMP3MMP9
SCHEMBL6360590 0.75 ADAM10 (1.00) ADAM10MMP2MMP3MMP9MMP1

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 1 patent. 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