SCHEMBL3947201

SCHEMBL3947201

CC(C)(C)[C@@]1(COc2ccccc2)C[C@H](OS(C)(=O)=O)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 4/20 0.32
MMP9 P14780 4/20 0.32
MMP13 P45452 4/20 0.32
GPR119 Q8TDV5 4/20 0.32
ADAM17 P78536 3/20 0.32
LIPE Q05469 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP30 Q70CQ3 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL3952750 0.80 ALDH1A1 (0.36) ALDH1A1MMP9MEN1KMT2A
SCHEMBL146262 0.75
SCHEMBL3955174 0.73 HCRTR1 (0.35) ALDH1A1MEN1KMT2AHCRTR1HCRTR2
SCHEMBL2079080 0.73 MMP2 (0.30)
SCHEMBL4297050 0.72 HRH3 (0.34) ALDH1A1CHRM3MEN1KMT2A
SCHEMBL3547375 0.72
SCHEMBL2819757 0.72
SCHEMBL3950848 0.72 CTSL (0.43) ALDH1A1MEN1KMT2A
SCHEMBL376577 0.72
SCHEMBL4298789 0.71 HCRTR1 (0.36) ALDH1A1KMT2AHCRTR1HCRTR2

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
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed