SCHEMBL4763266

SCHEMBL4763266

CS(=O)(=O)OCCOC(CCO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.40
PLA2G2A P14555 2/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G5 P39877 1/20 0.37
TK1 P04183 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.34
SLC6A1 P30531 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
SCHEMBL5699551 1.00 DUT (0.40) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL4762322 0.98 DUT (0.39) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL4762320 0.98 DUT (0.39) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL5699516 0.91 KIF11 (0.36) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL3623796 0.91 KIF11 (0.36) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL8687134 0.85 KIF11 (0.39) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL4193339 0.85 PLA2G2A (0.36) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL4186763 0.83 DUT (0.44) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL4186770 0.83 DUT (0.44) DUTPLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL26439425 0.82 PLA2G2A (0.42) DUTPLA2G2APLA2G10PLA2G1BPLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008263985-A METHOD OF PREPARING 3-[2-{(METHYLSULFONYL)OXY}ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL METHANESULFONATE PPG IND OHIO INC 2008-11-06 JP disclosed
CN-1276978-C Method of preparing 3-[2-{(methylsulfonyl)oxy}ethoxy]-4-(triphenylmethoxy)-1-butanol, methane sulfonate PPG IND OHIO INC (US) 2006-09-27 CN disclosed
EP-1341927-B1 METHOD OF PREPARING 3-¬2-{(METHYLSULFONYL)OXY}ETHOXY|-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG IND OHIO INC (US) 2006-08-02 EP disclosed
CN-1633504-A Method of preparing 3-[2-{(methylsulfonyl)oxy}ethoxy]-4-(triphenylmethoxy)-1-butanol, methane sulfonate PPG IND OHIO INC (US) 2005-06-29 CN disclosed
EP-1341927-A1 METHOD OF PREPARING 3- 2- (METHYLSULFONYL)OXY ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG Industries Ohio, Inc. (US) 2003-09-10 EP disclosed
WO-2002059342-A1 METHOD OF PREPARING 3-[2-{(METHYLSULFONYL)OXY}ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG INDUSTRIES OHIO, INC. (US) 2002-08-01 WO disclosed
WO-2002059342-A1 METHOD OF PREPARING 3-[2-{(METHYLSULFONYL)OXY}ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG INDUSTRIES OHIO, INC. (US) 2002-08-01 WO disclosed
US-6300106-B1 FORMING S-ISOMER OR R-ISOMER OF (3,6-DIHYDRO-2H-PYRAN-2-YL)-METHANOL VIA A PROCESS WHICH PRODUCES A RACEMIC MIXTURE OF INTERMEDIATE REACTION PRODUCTS, RESOLVING TO SELECTIVELY PRODUCE S ISOMER PPG INDUSTRIES OHIO, INC. 2001-10-09 US disclosed
US-6300106-B1 FORMING S-ISOMER OR R-ISOMER OF (3,6-DIHYDRO-2H-PYRAN-2-YL)-METHANOL VIA A PROCESS WHICH PRODUCES A RACEMIC MIXTURE OF INTERMEDIATE REACTION PRODUCTS, RESOLVING TO SELECTIVELY PRODUCE S ISOMER PPG INDUSTRIES OHIO, INC. 2001-10-09 US disclosed