SCHEMBL13898990

SCHEMBL13898990

Cc1ccc(Oc2ccc(S(=O)(=O)N(CCC(=O)N(C)C)C3(C(=O)NO)CCOCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 20/20 0.58
▸ MMP13 P45452 15/20 0.46
▸ MMP14 P50281 10/20 0.45
▸ MMP2 P08253 9/20 0.45
▸ MMP3 P08254 8/20 0.45
▸ MMP9 P14780 8/20 0.45
▸ MMP8 P22894 8/20 0.45
▸ MMP7 P09237 2/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ MMP10 P09238 1/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ MMP12 P39900 1/20 0.43

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
SCHEMBL3983663 0.93 MMP1 (0.58) MMP1MMP13MMP14MMP2MMP3
SCHEMBL13898999 0.89 MMP1 (0.46) MMP1MMP13MMP14MMP2MMP3
SCHEMBL3987272 0.85 MMP1 (0.68) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6870820 0.84 MMP1 (0.58) MMP1MMP13MMP14MMP2MMP3
SCHEMBL3921083 0.84 MMP1 (0.55) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6873149 0.84 MMP1 (0.70) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6813262 0.84 MMP1 (0.67) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6813516 0.84 MMP1 (0.54) MMP1MMP13MMP14MMP2MMP3
SCHEMBL3923765 0.83 MMP1 (0.66) MMP1MMP13MMP14MMP2MMP3
SCHEMBL6809651 0.83 MMP1 (0.68) MMP1MMP13MMP14MMP2MMP3

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-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 — — US disclosed
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