SCHEMBL3908561

SCHEMBL3908561

CC(C)CC(CN(O)C=O)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 2/20 0.51
ADAMTS4 O75173 3/20 0.45
MMP2 P08253 6/20 0.45
MMP9 P14780 5/20 0.45
MMP3 P08254 4/20 0.45
MMP13 P45452 4/20 0.45
MMP1 P03956 3/20 0.45
MMP7 P09237 2/20 0.45
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 2/20 0.44
ADAM17 P78536 1/20 0.44
MMP12 P39900 1/20 0.43

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
SCHEMBL3901144 0.88 BMP1 (0.47) ADAMTS4MMP2MMP9MMP13MMP1
SCHEMBL3911104 0.85 BMP1 (0.56) MMP2MMP9MMP8MMP14MMP12
SCHEMBL3901137 0.85 LARS1 (0.51) LARS1
SCHEMBL3900011 0.79 BMP1 (0.45) LARS1ADAMTS4MMP2MMP9MMP12
SCHEMBL3898472 0.78 BMP1 (0.51) LARS1
SCHEMBL3900004 0.77 BMP1 (0.55) LARS1MMP12
SCHEMBL3902592 0.77 MMP3 (0.42) LARS1MMP2MMP9MMP3MMP13
SCHEMBL28717212 0.77 LARS1 (0.84) LARS1ADAMTS4MMP2MMP9MMP3
SCHEMBL18019130 0.77 LARS1 (0.84) LARS1ADAMTS4MMP2MMP9MMP3
SCHEMBL3900001 0.77 ALDH1A1 (0.47) LARS1

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-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP claimed