SCHEMBL7079307

SCHEMBL7079307

O=C(O)C[C@H](CS(=O)(=O)c1ccc(CCc2cccc(NC3N=CCS3)c2)cc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP8 P22894 4/20 0.34
MMP1 P03956 3/20 0.34
MMP3 P08254 3/20 0.34
F10 P00742 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
AOC3 Q16853 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31

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
SCHEMBL7076145 1.00 BDKRB1 (0.34) BDKRB1MMP2MMP9MMP8MMP1
SCHEMBL7075687 1.00 BDKRB1 (0.34) BDKRB1MMP2MMP9MMP8MMP1
SCHEMBL7079112 0.92 F10 (0.41) BDKRB1MMP2MMP9MMP8MMP1
SCHEMBL7074971 0.85 GABBR2 (0.34) BDKRB1MMP2MMP9MMP8MMP1
SCHEMBL10279296 0.77 CA12 (0.40) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7133670 0.77 ITGB3 (0.47) BDKRB1MMP2MMP9MMP8MMP1
SCHEMBL7130131 0.77 ITGB3 (0.46) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7080966 0.76 KDR (0.47) ALDH1A1ATM
SCHEMBL7080988 0.76 ITGB3 (0.44) ALDH1A1ATML3MBTL1CA12CA1
SCHEMBL7131622 0.76 MMP2 (0.33) BDKRB1MMP2MMP9MMP8MMP1

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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed