SCHEMBL7077971

SCHEMBL7077971

COC(=O)CC(CS(=O)(=O)c1ccc(Oc2ccc(N=C=S)cc2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.44
MMP1 P03956 3/20 0.41
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MMP2 P08253 3/20 0.39
ADAM17 P78536 1/20 0.39
MMP9 P14780 2/20 0.39
MMP14 P50281 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8359412 0.90 MMP13 (0.42) MMP13MMP1KEAP1NFE2L2PDE4A
SCHEMBL7078814 0.84 MMP13 (0.48) MMP13MMP1FNTAFNTBPDE4A
SCHEMBL7077585 0.83 F2 (0.41) MMP13MMP1PDE4APDE4BPDE4C
SCHEMBL7078648 0.81 FNTA (0.54) MMP13MMP1FNTAFNTBALDH1A1
SCHEMBL7073837 0.81 FNTA (0.52) MMP13MMP1FNTAFNTBMMP2
SCHEMBL7077769 0.81 HSD17B10 (0.39) MMP13MMP1KEAP1NFE2L2MMP2
SCHEMBL7073376 0.79 ALDH1A1 (0.46) MMP13MMP1PDE4APDE4BPDE4C
SCHEMBL7079124 0.78 ALDH1A1 (0.45) MMP13FNTAFNTBPDE4APDE4B
SCHEMBL7079059 0.78 ALDH1A1 (0.45) MMP13FNTAFNTBPDE4APDE4B
SCHEMBL7079922 0.78 MMP2 (0.43) MMP13MMP1FNTAFNTBPDE4A

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