SCHEMBL7079922

SCHEMBL7079922

COC(=O)CC(CS(=O)(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.43
CXCR2 P25025 2/20 0.43
MMP9 P14780 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MMP13 P45452 9/20 0.41
MMP3 P08254 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CXCR1 P25024 1/20 0.40
MMP1 P03956 3/20 0.39
KCNA5 P22460 1/20 0.38
HSD11B1 P28845 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
EEF2K O00418 1/20 0.37

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
SCHEMBL7079059 0.84 ALDH1A1 (0.45) MMP2ALDH1A1MMP13MMP3PDE4A
SCHEMBL7073376 0.83 ALDH1A1 (0.46) MMP2ALDH1A1MMP13MMP3PDE4A
SCHEMBL7079124 0.82 ALDH1A1 (0.45) MMP2ALDH1A1MMP13MMP3PDE4A
SCHEMBL7078814 0.82 MMP13 (0.48) MMP2MMP9ALDH1A1MMP13MMP3
SCHEMBL7078648 0.79 FNTA (0.54) ALDH1A1MMP13MMP1HSD11B1FNTA
SCHEMBL7077837 0.79 ALDH1A1 (0.45) MMP2ALDH1A1MMP13MMP3PDE4A
SCHEMBL7073742 0.79 KMT2A (0.45) ALDH1A1HSD11B1FNTAFNTBEEF2K
SCHEMBL7077971 0.78 MMP13 (0.44) MMP2MMP9ALDH1A1MMP13PDE4A
SCHEMBL7075400 0.77 F2 (0.45) MMP2MMP9ALDH1A1MMP13KCNA5
SCHEMBL7073837 0.77 FNTA (0.52) MMP2MMP9ALDH1A1MMP13MMP3

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