SCHEMBL4575861

SCHEMBL4575861

NC(=O)C12CCC(CC(NS(=O)(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)(C(=O)O)C1)O2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.42
MMP13 P45452 12/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FPR2 P25090 2/20 0.35
SCN9A Q15858 2/20 0.35
EPHX2 P34913 1/20 0.34
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
S1PR2 O95136 2/20 0.32

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
SCHEMBL25908 0.87 MMP1 (0.56) MMP1MMP13MMP2MMP3MMP9
SCHEMBL25832 0.79 MMP1 (0.57) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7991333 0.75 MMP2 (0.40) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7993343 0.72 ALDH1A1 (0.33) MMP1MMP13MMP2MMP3MMP9
Hydroxyamine SCHEMBL19181460 0.67 MMP1 (0.77) MMP1MMP13MMP2MMP3MMP9
SCHEMBL8072826 0.67 MMP2 (0.44) MMP1MMP13MMP2MMP3MMP9
SCHEMBL4048453 0.67 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7004525 0.67 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6869740 0.63 MMP1 (0.77) MMP1MMP13MMP2MMP3MMP9
SCHEMBL27415619 0.62 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9

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-7326414-B2 Antibodies to M-CSF WARNER-LAMBERT COMPANY LLC (US) 2008-02-05 US disclosed