SCHEMBL7955836

SCHEMBL7955836

CN1CCN(c2ccc(S(=O)(=O)N[C@H](CCCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.52
MMP9 P14780 7/20 0.52
MMP1 P03956 3/20 0.50
MMP14 P50281 3/20 0.50
ADAM17 P78536 3/20 0.50
HTR1A P08908 4/20 0.47
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP13 P45452 2/20 0.45
ADAM10 O14672 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MMP8 P22894 1/20 0.43
ADAMTS4 O75173 1/20 0.43

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
SCHEMBL7959175 0.91 MMP2 (0.63) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7961409 0.87 MMP3 (0.58) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL14217413 0.86 DRD2 (0.53) HTR1ASMN1; SMN2
Hydroxyamine SCHEMBL7951516 0.86 MMP3 (0.56) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7956126 0.81 MMP2 (0.55) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7956055 0.80 MMP2 (0.57) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL5033356 0.80 MMP2 (0.69) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7959937 0.80 MMP2 (0.69) MMP2MMP9MMP1MMP14ADAM17
SCHEMBL7956006 0.80 MMP2 (0.64) MMP2MMP9MMP1MMP14ADAM17
Hydroxyamine SCHEMBL7688383 0.78 MMP2 (0.67) MMP2MMP9MMP1MMP14ADAM17

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