SCHEMBL13898949

SCHEMBL13898949

Cc1ccc(Oc2ccc(S(=O)(=O)N(CCC(=O)O)C3(C(=O)OCc4ccccc4)CCOCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.48
NR3C1 P04150 1/20 0.42
LMNA P02545 1/20 0.41
MMP13 P45452 5/20 0.41
MMP9 P14780 4/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 2/20 0.41
MMP8 P22894 2/20 0.41
PTGES O14684 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP14 P50281 1/20 0.39
HPGD P15428 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13898761 0.85 NR3C1 (0.37) MMP1NR3C1LMNAMMP13MMP9
SCHEMBL6813135 0.83 MMP1 (0.67) MMP1NR3C1MMP13MMP9MMP2
SCHEMBL6873149 0.80 MMP1 (0.70) MMP1MMP13MMP9MMP2MMP3
SCHEMBL13898999 0.79 MMP1 (0.46) MMP1NR3C1MMP13MMP9MMP2
SCHEMBL13898985 0.79 NR3C1 (0.43) MMP1NR3C1LMNAMMP13MMP9
SCHEMBL13898717 0.78 MMP1 (0.61) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6813465 0.78 MMP1 (0.55) MMP1NR3C1LMNAMMP13MAPT
SCHEMBL13898990 0.76 MMP1 (0.58) MMP1MMP13MMP9MMP2MMP3
SCHEMBL6870820 0.76 MMP1 (0.58) MMP1MMP13MMP9MMP2MMP3
SCHEMBL3987272 0.76 MMP1 (0.68) MMP1MMP13MMP9MMP2MMP3

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