SCHEMBL7036112

SCHEMBL7036112

COc1ccc(S(=O)(=O)N2CCCCC(NS(=O)(=O)Cc3ccccc3N)C2OC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.46
MMP3 P08254 5/20 0.46
MMP13 P45452 4/20 0.46
MMP7 P09237 4/20 0.46
MMP9 P14780 5/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FKBP1A P62942 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNQ1 P51787 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7027257 0.89 MMP1 (0.53) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6075256 0.88 MMP1 (0.48) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6075762 0.76 MMP1 (0.52) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6076884 0.76 MMP1 (0.53) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6076358 0.76 MMP1 (0.53) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6076182 0.76 MMP1 (0.53) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7357966 0.74 MMP1 (0.47) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7033779 0.74 MMP1 (0.44) MMP1MMP3MMP13MMP7MMP9
SCHEMBL7362860 0.71 MMP1 (0.41) MMP1MMP3MMP13MMP7MMP9
SCHEMBL6077502 0.71 FKBP1A (0.54) MMP1MMP3MMP13MMP7MMP9

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
EP-1042297-B1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC (US) 2003-02-26 EP claimed