SCHEMBL7583683

SCHEMBL7583683

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.58
TRPV1 Q8NER1 1/20 0.50
USP30 Q70CQ3 4/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CTSL P07711 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRMT1 Q99873 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPR3 P17342 1/20 0.45
CYP2C19 P33261 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
ITGB5 P18084 1/20 0.44

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
SCHEMBL7669215 0.89 MMP9 (0.72) MMP9USP30MAPTALDH1A1CTSL
SCHEMBL7665251 0.89 MMP9 (0.72) MMP9USP30MAPTALDH1A1CTSL
SCHEMBL7590434 0.88 MMP9 (0.75) MMP9TRPV1MAPTALDH1A1KDM4E
SCHEMBL7673629 0.87 MMP9 (0.76) MMP9USP30MAPTALDH1A1CTSL
SCHEMBL5090722 0.87 MMP9 (0.76) MMP9USP30MAPTALDH1A1CTSL
SCHEMBL8193360 0.86 MMP9 (0.62) MMP9TRPV1USP30ALDH1A1KDM4E
SCHEMBL6424104 0.86 MMP9 (0.62) MMP9TRPV1USP30ALDH1A1KDM4E
SCHEMBL8070197 0.84 MMP9 (0.58) MMP9TRPV1USP30KDM4EPRMT1
SCHEMBL7688160 0.80 ALDH1A1 (0.59) MMP9MAPTALDH1A1CTSLTDP1
SCHEMBL7667927 0.78 ALDH1A1 (0.57) MMP9MAPTALDH1A1CTSLTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757984-B1 Hydroxamic acid derivatives useful for inhibiting gelatinase ONO PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6177466-B1 Sulfonylamino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
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 disclosed
EP-0757984-A1 Hydroxamic acid derivatives useful for inhibiting gelatinase ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP disclosed