SCHEMBL8070197

SCHEMBL8070197

CCCCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NOCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.58
TRPV1 Q8NER1 1/20 0.50
PLAU P00749 1/20 0.48
HPN P05981 1/20 0.48
USP30 Q70CQ3 3/20 0.47
KDM4E B2RXH2 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
GAA P10253 1/20 0.46
PRMT1 Q99873 2/20 0.45
PLK1 P53350 3/20 0.45
PLK3 Q9H4B4 3/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MMP2 P08253 1/20 0.45

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
SCHEMBL8193360 0.89 MMP9 (0.62) MMP9TRPV1PLAUHPNUSP30
SCHEMBL6424104 0.89 MMP9 (0.62) MMP9TRPV1PLAUHPNUSP30
SCHEMBL7590434 0.88 MMP9 (0.75) MMP9TRPV1KDM4EITGB3ITGA2B
SCHEMBL7583683 0.84 MMP9 (0.58) MMP9TRPV1PLAUHPNUSP30
SCHEMBL7663396 0.75 MMP9 (0.71) MMP9USP30ITGB3ITGA2BITGB1
SCHEMBL7665147 0.75 MMP9 (0.71) MMP9USP30ITGB3ITGA2BITGB1
SCHEMBL7668862 0.75 MMP9 (1.00) MMP9ITGB3ITGA2BITGB1ITGAV
SCHEMBL7675244 0.75 MMP9 (1.00) MMP9ITGB3ITGA2BITGB1ITGAV
SCHEMBL9506968 0.75 NPC1 (0.64) TRPV1PLK1PLK3
SCHEMBL5093780 0.74 MMP9 (1.00) MMP9PLAUHPNITGB3ITGA2B

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
US-6022893-A PREVENTION AND TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION OR EXCESS ACTIVATION OF GELATINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-02-08 US claimed