SCHEMBL6661880

SCHEMBL6661880

c1ccc(CO[SiH2]CCCSSSSCCC[SiH2]OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.34
ALOX5 P09917 1/20 0.33
MAOB P27338 2/20 0.31
ALDH1A1 P00352 4/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TRPA1 O75762 1/20 0.30
L3MBTL1 Q9Y468 3/20 0.30

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
SCHEMBL5704258 0.78 TSHR (0.48) TSHRIDO1AGXTMAOBCA1
SCHEMBL705851 0.77 TSHR (0.46) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL15327779 0.77 TSHR (0.46) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7054298 0.75 CETP (0.45) TSHRALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL28262358 0.74 CETP (0.47) TSHRALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL3482051 0.72 TSHR (0.50) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL5682848 0.68 TSHR (0.45) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL15848468 0.68 TSHR (0.45) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11617139 0.68 TSHR (0.36) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL10481808 0.67 TSHR (0.48) TSHRIDO1AGXTMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448570-A1 PROCESS FOR PREPARING SILYLORGANOMERCAPTANS GENERAL ELECTRIC COMPANY (US) 2004-08-25 EP claimed
WO-2003040153-A1 PROCESS FOR PREPARING SILYLORGANOMERCAPTANS GENERAL ELECTRIC COMPANY (US) 2003-05-15 WO claimed
EP-1448570-A1 PROCESS FOR PREPARING SILYLORGANOMERCAPTANS GENERAL ELECTRIC COMPANY (US) 2004-08-25 EP disclosed
WO-2003040153-A1 PROCESS FOR PREPARING SILYLORGANOMERCAPTANS GENERAL ELECTRIC COMPANY (US) 2003-05-15 WO disclosed