SCHEMBL7870722

SCHEMBL7870722

COc1ccc([S+]([O-])CCC(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.56
HDAC1 Q13547 8/20 0.54
HDAC8 Q9BY41 7/20 0.54
HDAC3 O15379 5/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
BMP1 P13497 2/20 0.46
MEP1B Q16820 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 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
SCHEMBL6930501 0.90 HDAC1 (0.60) MMP1HDAC1HDAC8HDAC3HDAC2
SCHEMBL6931713 0.90 HDAC1 (0.60) MMP1HDAC1HDAC8HDAC3HDAC2
SCHEMBL28618738 0.86 HTT (0.50) MMP1HDAC1HDAC8HDAC3HDAC2
SCHEMBL7080603 0.84 HTT (0.51) MMP1MEP1BCA1CA2
SCHEMBL21946015 0.80 ALDH1A1 (0.48) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL11431967 0.79 HDAC1 (0.49) MMP1HDAC1HDAC8HDAC3HDAC2
SCHEMBL28510612 0.78 ELANE (0.38) MMP1CA1CA2
SCHEMBL7308342 0.75 MMP1 (0.46) MMP1HDAC1HDAC8HDAC3HDAC2
Hydroxyamine SCHEMBL7655304 0.74 PDE4B (0.49) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL5604356 0.73 F2RL1 (0.69) MMP1HDAC1HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed