SCHEMBL5182133

SCHEMBL5182133

CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CN)C(=O)NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.53
MMP7 P09237 3/20 0.53
MMP10 P09238 1/20 0.53
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.45
MMP14 P50281 1/20 0.45
ADAM17 P78536 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MMP13 P45452 2/20 0.42
SLC1A2 P43004 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
SCHEMBL1443795 0.89 MMP9 (0.54) MMP9MMP7MMP10MMP2MMP1
SCHEMBL5180159 0.89 MMP9 (0.54) MMP9MMP7MMP10MMP2MMP1
SCHEMBL1443796 0.89 MMP9 (0.54) MMP9MMP7MMP10MMP2MMP1
SCHEMBL4927384 0.83 MMP7 (0.74) MMP9MMP7MMP10MMP2MMP1
SCHEMBL4927389 0.83 MMP7 (0.74) MMP9MMP7MMP10MMP2MMP1
SCHEMBL4921444 0.81 MMP13 (0.58) MMP9MMP7MMP10MMP2MMP1
SCHEMBL4921436 0.81 MMP13 (0.58) MMP9MMP7MMP10MMP2MMP1
SCHEMBL4926651 0.80 MMP1 (0.56) MMP9MMP7MMP2MMP1MMP14
SCHEMBL5094030 0.80 MMP1 (0.56) MMP9MMP7MMP2MMP1MMP14
SCHEMBL7473654 0.80 MMP2 (0.57) MMP9MMP7MMP10MMP2MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP disclosed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO disclosed