SCHEMBL5094030

SCHEMBL5094030

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.56
MMP9 P14780 7/20 0.56
MMP13 P45452 7/20 0.56
MMP7 P09237 6/20 0.56
ADAM17 P78536 5/20 0.56
ADAM10 O14672 1/20 0.56
MMP8 P22894 1/20 0.56
MMP14 P50281 1/20 0.56
MMP2 P08253 5/20 0.50
MMP3 P08254 5/20 0.50

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
SCHEMBL4926651 1.00 MMP1 (0.56) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL14045734 0.84 SLC1A2 (0.46) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL4929339 0.82 ALDH1A1 (0.42) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL1443796 0.81 MMP9 (0.54) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL5180159 0.81 MMP9 (0.54) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL1443795 0.81 MMP9 (0.54) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL5182133 0.80 MMP9 (0.53) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL14025839 0.80 MMP9 (0.60) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL4916984 0.80 MMP9 (0.60) MMP1MMP9MMP13MMP7ADAM17
SCHEMBL4926953 0.80 MMP1 (0.58) MMP1MMP9MMP13MMP7ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008508348-A 2008-03-21 JP claimed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP claimed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 WO claimed
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