SCHEMBL6606815

SCHEMBL6606815

CC(C)C[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)N(C=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 1/20 0.34
CYP1A2 P05177 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
FCER2 P06734 1/20 0.31
MMP3 P08254 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 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
SCHEMBL6607311 0.90 HIF1A (0.36) PDE10AHIF1AEPAS1MMP9CYP1A2
SCHEMBL6606605 0.89 HPGD (0.38) PDE10AHIF1AEPAS1MMP9CYP1A2
SCHEMBL6399798 0.89 HIF1A (0.37) PDE10AHIF1AEPAS1CYP1A2HCRTR1
SCHEMBL6399028 0.89 HIF1A (0.35) PDE10AHIF1AEPAS1MMP9CYP1A2
Hydrochloric Acid SCHEMBL6404667 0.87 MMP2 (0.30) MMP2MMP9MMP8
SCHEMBL6401567 0.84 PDE10A (0.35) PDE10AHIF1AEPAS1MMP2MMP9
SCHEMBL6402218 0.84 MMP2 (0.39) PDE10AHIF1AEPAS1MMP2MMP9
SCHEMBL6402216 0.84 MMP2 (0.39) PDE10AHIF1AEPAS1MMP2MMP9
SCHEMBL6077244 0.84 HIF1A (0.36) PDE10AHIF1AEPAS1CYP1A2HCRTR1
SCHEMBL6662759 0.84 HIF1A (0.36) PDE10AHIF1AEPAS1MMP2CYP1A2

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
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed