SCHEMBL7583642

SCHEMBL7583642

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.70
MMP2 P08253 8/20 0.67
TACR1 P25103 2/20 0.59
AIMP2 Q13155 1/20 0.58
HDAC8 Q9BY41 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
KCNA5 P22460 1/20 0.57

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
SCHEMBL7667544 0.94 MMP9 (0.78) MMP9MMP2TACR1HDAC8HDAC2
SCHEMBL7673655 0.94 MMP9 (0.78) MMP9MMP2TACR1HDAC8HDAC2
SCHEMBL29883928 0.92 MMP2 (0.69) MMP9MMP2TACR1KCNA5
SCHEMBL7878205 0.92 MMP2 (0.69) MMP9MMP2TACR1KCNA5
SCHEMBL7894567 0.91 MMP9 (0.66) MMP9MMP2TACR1AIMP2KCNA5
SCHEMBL7587014 0.89 MMP9 (0.88) MMP9MMP2
SCHEMBL9262155 0.84 TACR1 (0.71) MMP9MMP2TACR1KCNA5
SCHEMBL7669539 0.83 MMP9 (1.00) MMP9MMP2
SCHEMBL7665932 0.83 MMP9 (1.00) MMP9MMP2
SCHEMBL29883848 0.83 TACR1 (0.80) TACR1HDAC8HDAC3HDAC4HDAC1

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