SCHEMBL1723964

SCHEMBL1723964

CCCCCS(=O)(O)(O)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
TSHR P16473 6/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.35
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
GPR84 Q9NQS5 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL1723396 0.97 TSHR (0.40) CES2CES1TSHRTHRBPPARG
SCHEMBL1723999 0.97 TSHR (0.40) CES2CES1TSHRTHRBPPARG
SCHEMBL1723834 0.97 TSHR (0.40) CES2CES1TSHRTHRBPPARG
SCHEMBL1723586 0.92 CES2 (0.33) CES2CES1TSHRTHRBSMN1; SMN2
SCHEMBL1502042 0.89 CES2 (0.39) CES2CES1TSHRTHRBSMN1; SMN2
SCHEMBL11483342 0.86 TSHR (0.44) CES2CES1TSHRTHRBPPARG
SCHEMBL11285135 0.86 TSHR (0.44) CES2CES1TSHRTHRBPPARG
SCHEMBL6269075 0.86 TSHR (0.44) CES2CES1TSHRTHRBPPARG
SCHEMBL9129618 0.86 TSHR (0.44) CES2CES1TSHRTHRBPPARG
SCHEMBL6264699 0.86 TSHR (0.44) CES2CES1TSHRTHRBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902004-B1 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2012-01-18 EP disclosed
EP-1902004-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD Merck Patent GmbH (DE) 2008-03-26 EP disclosed
EP-1902035-A1 METHOD FOR THE PRODUCTION OF ONIUM ALKYL SULFITES Merck Patent GmbH (DE) 2008-03-26 EP disclosed
WO-2007006388-A1 METHOD FOR THE PRODUCTION OF ONIUM ALKYL SULFITES MERCK PATENT GMBH (DE) 2007-01-18 WO disclosed
WO-2007006389-A1 MIXTURE OF ONIUM ALKYL SULFONATES AND ONIUM ALKYL SULFITES MERCK PATENT GMBH (DE) 2007-01-18 WO disclosed
WO-2007006387-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2007-01-18 WO disclosed