SCHEMBL13898985

SCHEMBL13898985

C=C(C)CN(C1(C(=O)OCc2ccccc2)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.43
LMNA P02545 1/20 0.42
PTGES O14684 2/20 0.41
ALOX5 P09917 1/20 0.41
MMP1 P03956 2/20 0.39
MAPT P10636 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CNR2 P34972 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
SCHEMBL13898949 0.79 MMP1 (0.48) NR3C1LMNAPTGESALOX5MMP1
SCHEMBL6813465 0.77 MMP1 (0.55) NR3C1LMNAMMP1MAPTALDH1A1
SCHEMBL6813135 0.77 MMP1 (0.67) NR3C1PTGESMMP1MAPTKEAP1
SCHEMBL6809611 0.76 MMP1 (0.54) NR3C1PTGESMMP1KEAP1NFE2L2
SCHEMBL13902863 0.75 MMP1 (0.45) NR3C1LMNAPTGESALOX5MMP1
SCHEMBL13898698 0.74 MMP1 (0.49) LMNAMMP1CA1CA2MMP13
SCHEMBL13898761 0.73 NR3C1 (0.37) NR3C1LMNAPTGESALOX5MMP1
SCHEMBL6872277 0.72 MMP1 (0.43) NR3C1LMNAPTGESMMP1MAPT
SCHEMBL6872275 0.72 MMP1 (0.43) NR3C1LMNAPTGESMMP1MAPT
SCHEMBL6813134 0.72 MMP1 (0.47) NR3C1PTGESMMP1KEAP1NFE2L2

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