SCHEMBL8965842

SCHEMBL8965842

CC(Cl)C(=O)C(C)Cl.Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.65
MMP2 P08253 10/20 0.65
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MMP13 P45452 3/20 0.46
MMP3 P08254 2/20 0.46
MMP1 P03956 1/20 0.45
MMP7 P09237 1/20 0.45
MMP8 P22894 2/20 0.44
ADAMTS4 O75173 1/20 0.44
PLAU P00749 1/20 0.44
HPN P05981 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 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
SCHEMBL457772 0.92 MMP9 (0.76) MMP9MMP2ITGB3ITGA2BTDP1
SCHEMBL8001084 0.92 MMP9 (0.76) MMP9MMP2ITGB3ITGA2BTDP1
SCHEMBL10585071 0.92 MMP9 (0.76) MMP9MMP2ITGB3ITGA2BTDP1
SCHEMBL8322406 0.91 MMP9 (0.71) MMP9MMP2ITGB3ITGA2BTDP1
Hydrochloric Acid SCHEMBL9087107 0.91 MMP9 (0.74) MMP9MMP2ITGB3ITGA2BTDP1
SCHEMBL796113 0.90 MMP9 (0.70) MMP9MMP2ITGB3ITGA2BTDP1
SCHEMBL232590 0.90 MMP9 (0.70) MMP9MMP2ITGB3ITGA2BTDP1
Hydrochloric Acid SCHEMBL14059216 0.88 MMP9 (0.68) MMP9MMP2ITGB3ITGA2BTDP1
Hydrochloric Acid SCHEMBL28895937 0.88 MMP9 (0.68) MMP9MMP2ITGB3ITGA2BTDP1
SCHEMBL158952 0.88 MMP9 (0.70) MMP9MMP2ITGB3ITGA2BTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541095-A DNA ENCODING POLYPEPTIDES FOR CATALYZING DEACETYLATION AND SULFATION OF GLYCOSAMINEGLYCAN UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-30 US disclosed
WO-1993025659-A9 GLYCOSAMINOGLYCAN SPECIFIC SULFOTRANSFERASES 1994-04-28 WO disclosed
WO-1993025659-A1 GLYCOSAMINOGLYCAN SPECIFIC SULFOTRANSFERASES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1993-12-23 WO disclosed