SCHEMBL13902863

SCHEMBL13902863

C=C(C)CN(C1(C(=O)O)CCCC1)S(=O)(=O)c1ccc(Oc2ccc([SH](=O)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 5/20 0.35
HTT P42858 4/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NR3C1 P04150 2/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
MMP14 P50281 3/20 0.34

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
SCHEMBL13898985 0.75 NR3C1 (0.43) MMP1SMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL27500507 0.73 MMP1 (0.54) MMP1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL13898992 0.72 MCL1 (0.50) MMP1SMN1; SMN2HTTNR3C1MMP2
SCHEMBL8502159 0.72 MMP1 (0.69) MMP1SMN1; SMN2LMNAHTTMMP2
SCHEMBL6809653 0.70 MMP1 (0.62) MMP1SMN1; SMN2PLGPLAUPLAT
SCHEMBL6689128 0.68 MMP1 (0.65) MMP1SMN1; SMN2PLGPLAUPLAT
SCHEMBL3914710 0.66 MMP1 (0.78) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3913080 0.65 MMP1 (0.59) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6876444 0.65 MMP1 (0.81) MMP1LMNAMMP2MMP9MMP8
SCHEMBL8443684 0.65 MMP1 (0.51) MMP1ALDH1A1POLBNR3C1MMP2

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