SCHEMBL6566136

SCHEMBL6566136

CCOc1cccc(Oc2cccc(OS(C)(=O)=O)c2)c1OC(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
GCK P35557 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MTNR1B P49286 1/20 0.34
PTPN1 P18031 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2686642 0.80 PPARA (0.52) PPARGPPARAL3MBTL1
SCHEMBL6829427 0.77 MTNR1A (0.43) PPARGPPARAMTNR1BPTPN1
SCHEMBL15558253 0.77 L3MBTL1 (0.46) ACHEMAPTSMN1; SMN2KDM4EGAA
SCHEMBL6055987 0.74 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2GAAGLA
SCHEMBL6832494 0.73 CA12 (0.41) MAPTPPARGPPARASMN1; SMN2
SCHEMBL15547765 0.73 ELANE (0.46) ACHEMAPTLMNASMN1; SMN2KDM4E
SCHEMBL7617609 0.73 ALDH1A1 (0.46) MAPTLMNASMN1; SMN2GAAGLA
SCHEMBL7069550 0.72 CA12 (0.40) PPARGPPARAGAA
SCHEMBL15558679 0.72 ALDH1A1 (0.44) SMN1; SMN2KDM4EGLAL3MBTL1
SCHEMBL6065085 0.71 MAPT (0.44) ACHEMAPTLMNAPTPN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2002100413-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) 2002-12-19 WO claimed