SCHEMBL7961409

SCHEMBL7961409

O=C(O)[C@@H](CCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.48
MMP9 P14780 9/20 0.47
MMP2 P08253 8/20 0.47
MAPK1 P28482 2/20 0.47
MMP1 P03956 2/20 0.47
MMP14 P50281 2/20 0.47
ADAM17 P78536 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 2/20 0.41
HPN P05981 1/20 0.41
HGFAC Q04756 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
Hydroxyamine SCHEMBL7951516 0.98 MMP3 (0.56) MMP3SMN1; SMN2MMP9MMP2MAPK1
SCHEMBL7955836 0.87 MMP2 (0.52) SMN1; SMN2MMP9MMP2MMP1MMP14
SCHEMBL1381157 0.86 MMP3 (0.53) MMP3SMN1; SMN2MMP9MMP2ALDH1A1
Hydroxyamine SCHEMBL1378161 0.84 MMP3 (0.51) MMP3SMN1; SMN2MMP9MMP2ALDH1A1
SCHEMBL6418945 0.84 MMP3 (0.62) MMP3MMP9MMP2MMP1MMP14
SCHEMBL6421326 0.82 MMP3 (0.64) MMP3MMP9MMP2MMP14MMP13
SCHEMBL6421316 0.82 MMP3 (0.64) MMP3MMP9MMP2MMP14MMP13
SCHEMBL4431389 0.81 MMP3 (0.70) MMP3MMP9MMP2MMP1ALDH1A1
SCHEMBL6419780 0.81 MMP3 (0.67) MMP3MMP9MMP2MMP1ALDH1A1
SCHEMBL4431378 0.81 MMP3 (0.70) MMP3MMP9MMP2MMP1ALDH1A1

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
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed