SCHEMBL7077585

SCHEMBL7077585

COC(=O)CC(CS(=O)(=O)c1ccc(CCc2cccc(N=C=S)c2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.41
F10 P00742 9/20 0.41
PRSS1 P07477 8/20 0.41
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.37
MMP2 P08253 4/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
ALDH1A1 P00352 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MMP13 P45452 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL7077971 0.83 MMP13 (0.44) MMP2MMP1MMP9ALDH1A1PDE4A
SCHEMBL7077874 0.83 F2 (0.46) F2F10PRSS1MMP2MMP1
SCHEMBL8359412 0.81 MMP13 (0.42) MMP2MMP1MMP3ALDH1A1PDE4A
SCHEMBL7079158 0.81 SMN1; SMN2 (0.43) F2F10PRSS1KMT2AALDH1A1
SCHEMBL7073376 0.74 ALDH1A1 (0.46) F2F10PRSS1KMT2AMMP2
SCHEMBL7073328 0.74 ALDH1A1 (0.40) F2F10PRSS1KMT2AALDH1A1
SCHEMBL7074301 0.74 AOC3 (0.39) F2F10PRSS1KMT2AALDH1A1
SCHEMBL7079112 0.74 F10 (0.41) F2F10PRSS1KMT2AMMP2
SCHEMBL7079124 0.73 ALDH1A1 (0.45) KMT2AMMP2MMP3ALDH1A1PDE4A
SCHEMBL7079059 0.73 ALDH1A1 (0.45) KMT2AMMP2MMP3ALDH1A1PDE4A

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