SCHEMBL7545570

SCHEMBL7545570

COCCOCCN([C@@H](C(=O)O)c1ccccc1)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
MAPK8 P45983 2/20 0.32
MAPK10 P53779 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRB3 P13945 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
RORC P51449 1/20 0.31
CYP2A6 P11509 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
SCHEMBL7122205 0.94 MMP13 (0.40) SIGMAR1MMP2MMP13CTNNB1WNT3A
SCHEMBL7126419 0.91 MMP13 (0.42) SIGMAR1MMP2MMP13CTNNB1WNT3A
SCHEMBL7126425 0.91 MMP13 (0.42) SIGMAR1MMP2MMP13CTNNB1WNT3A
SCHEMBL7122194 0.84 MMP2 (0.30) MMP2MMP13
SCHEMBL7116976 0.83 MMP2 (0.30) MMP2MMP13
SCHEMBL7116990 0.79 L3MBTL1 (0.37) SIGMAR1MMP2MMP13L3MBTL1
SCHEMBL7156200 0.78 SIGMAR1 (0.34) SIGMAR1MMP2MMP13CA12CA2
SCHEMBL7123700 0.78 MMP13 (0.41) MMP2MMP13CTNNB1WNT3ACA12
SCHEMBL7123706 0.78 MMP13 (0.41) MMP2MMP13CTNNB1WNT3ACA12
SCHEMBL7123704 0.78 MMP13 (0.41) MMP2MMP13CTNNB1WNT3ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265855-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
WO-2001062715-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO disclosed