SCHEMBL8705102

SCHEMBL8705102

C=CCOC(=O)c1cccc(S(=O)(=O)n2c(=O)c3ccc(Cl)cc3n(OC(C)=O)c2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
MAPT P10636 4/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7467945 0.84 AKR1B1 (0.39) GAAMAPTPPARGPPARDPPARA
SCHEMBL7460868 0.82 GAA (0.36) GAAMAPTL3MBTL1SMN1; SMN2POLB
SCHEMBL8707541 0.81 PPARG (0.43) NOD2NOD1PPARGPPARDPPARA
SCHEMBL7472633 0.79 MAPT (0.36) GAAMAPTKMT2AMEN1KDM4E
SCHEMBL8707152 0.78 MAT2A (0.43) GAAMAPTL3MBTL1KMT2AMEN1
SCHEMBL7472700 0.78 CMA1 (0.55) GAAMAPTL3MBTL1KMT2APKM
SCHEMBL7472835 0.78 SMN1; SMN2 (0.43) NOD2NOD1MAPTL3MBTL1SMN1; SMN2
Iodide SCHEMBL7464172 0.78 GAA (0.35) GAANOD2NOD1KDM4EHPGD
SCHEMBL8700597 0.76 PPARG (0.44) NOD2NOD1MAPTPPARGPPARD
SCHEMBL7472637 0.76 MEN1 (0.40) GAAMAPTL3MBTL1KMT2AMEN1

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-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed