SCHEMBL6053157

SCHEMBL6053157

CCOc1[c]c(OCCc2ccccc2OS(C)(=O)=O)ccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL3901614 0.78 PPARA (0.50) KDM4EPPARGCA12CA1CA2
SCHEMBL3171854 0.74 TAAR1 (0.41) L3MBTL1MAPTNPSR1KDM4EALOX15
SCHEMBL15079864 0.74 L3MBTL1 (0.49) L3MBTL1MAPTKDM4EPPARGTP53
SCHEMBL8288339 0.74 TAAR1 (0.43) MAPTNPSR1KDM4EHTTCA12
SCHEMBL7853435 0.72 PPARA (0.39) PPARGCA1CA2CA9CA14
SCHEMBL7861194 0.72 PTGS2 (0.41) PPARGCA12CA1CA2CA9
SCHEMBL4860922 0.72 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1KDM4EALOX15
SCHEMBL3655204 0.71 THRA (0.46) KDM4EALOX5GAACA12CA1
SCHEMBL10181582 0.70 THRA (0.51) KDM4EALOX5PPARGGAACA1
SCHEMBL7998360 0.70 ALDH1A1 (0.43) L3MBTL1MAPTKDM4EPPARGCA12

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-1404309-B1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL| PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYL AMINOPHENYL) ETHOXY| PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND A BIGUANIDE DRUG ASTRAZENECA AB (SE) 2006-08-23 EP disclosed
EP-1404309-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID OR 3- 4- 2- (4-TERT-BUTOXY CARBONYL AMINOPHENYL) ETHOXY] PHENYL -(S)-2-ETHOXY PROPANOIC ACID AND A BIGUANIDE DRUG AstraZeneca AB (SE) 2004-04-07 EP disclosed
EP-1399166-A1 A PHARMACEUTICAL COMBINATION COMPRISING EITHER (S)-2-ETHOXY-3- 4-(2- 4-METHANE SULFONYL OXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID OR 3- 4- 2-(4-TERT- BUTOXY CARBONYL AMINOPHENYL) ETHOXY] PHENYL -(s)-2-ETHOXY PROPANOIC ACID AND A SULONYLUREA AstraZeneca AB (SE) 2004-03-24 EP disclosed