SCHEMBL6606473

SCHEMBL6606473

CC(C)C(O)CS(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
FCER2 P06734 1/20 0.40
MMP3 P08254 1/20 0.40
MMP2 P08253 2/20 0.39
MMP13 P45452 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
HPGD P15428 1/20 0.39
MGAM O43451 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PDE10A Q9Y233 5/20 0.38
ACACB O00763 1/20 0.38
MMP8 P22894 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6404920 0.89 KMT2A (0.37) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6986645 0.88 CYP1A2 (0.43) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6606289 0.84 CYP1A2 (0.42) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6987795 0.82 CYP1A2 (0.43) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6399016 0.81 MMP2 (0.40) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6399014 0.81 MMP2 (0.40) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6404912 0.81 CYP1A2 (0.34) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6981602 0.80 CYP1A2 (0.38) CYP1A2MMP2MMP13HIF1AEPAS1
SCHEMBL6608479 0.80 MMP2 (0.45) CYP1A2MMP9MMP1FCER2MMP3
SCHEMBL6608483 0.80 MMP2 (0.45) CYP1A2MMP9MMP1FCER2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed