SCHEMBL3189173

SCHEMBL3189173

CCCCCCC(O)(CCCCCC)[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC.CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3196911 0.96 MMP1 (0.40) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3197766 0.94 MMP1 (0.41) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3187992 0.91 MMP1 (0.41) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3186390 0.89 CYP3A4 (0.40) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3178915 0.88 MMP1 (0.49) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3195314 0.84 CYP3A4 (0.43) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3199556 0.83 MMP2 (0.43) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3197621 0.81 MMP1 (0.45) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3177510 0.81 KAT6A (0.37) ALDH1A1MEN1KMT2AATM
SCHEMBL3189816 0.80 CYP3A4 (0.44) MMP1MMP2MMP3MMP7MMP9

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-7671075-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2010-03-02 US claimed