SCHEMBL6893970

SCHEMBL6893970

CC(=O)C(CCCCN)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.61
MMP9 P14780 3/20 0.61
PLAU P00749 4/20 0.50
HPN P05981 4/20 0.50
TDP1 Q9NUW8 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CA1 P00915 3/20 0.45
MMP13 P45452 3/20 0.45
MMP1 P03956 2/20 0.45
MMP8 P22894 1/20 0.45
CA14 Q9ULX7 1/20 0.44
MMP3 P08254 2/20 0.44
ALDH1A1 P00352 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
SCHEMBL8001084 0.89 MMP9 (0.76) MMP2MMP9PLAUHPNTDP1
SCHEMBL10585071 0.89 MMP9 (0.76) MMP2MMP9PLAUHPNTDP1
SCHEMBL457772 0.89 MMP9 (0.76) MMP2MMP9PLAUHPNTDP1
SCHEMBL28509074 0.88 MMP2 (0.60) MMP2MMP9PLAUHPNTDP1
Hydrochloric Acid SCHEMBL9087107 0.88 MMP9 (0.74) MMP2MMP9PLAUHPNTDP1
SCHEMBL796113 0.87 MMP9 (0.70) MMP2MMP9PLAUHPNTDP1
SCHEMBL232590 0.87 MMP9 (0.70) MMP2MMP9PLAUHPNTDP1
SCHEMBL4649246 0.87 MMP2 (0.58) MMP2MMP9PLAUHPNTDP1
SCHEMBL4649241 0.87 MMP2 (0.58) MMP2MMP9PLAUHPNTDP1
Hydrochloric Acid SCHEMBL28895937 0.86 MMP9 (0.68) MMP2MMP9PLAUHPNTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434608-A2 IMPROVED BONE GRAFT Osteotech, Inc. (US) 2004-07-07 EP claimed
WO-2003030956-A2 IMPROVED BONE GRAFT OSTEOTECH, INC. (US) 2003-04-17 WO claimed