SCHEMBL6231372

SCHEMBL6231372

CCCCCCCCCCCCCCc1ccc(OS(=O)(=O)CCCCCCCCCCCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
STS P08842 4/20 0.49
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
FUT7 Q11130 1/20 0.48
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL9647425 0.94 CA2 (0.50) CA2STSTHRBTHRAFUT7
SCHEMBL28761163 0.92 CA2 (0.49) CA2STSTHRBTHRAFUT7
SCHEMBL10180116 0.92 CA2 (0.51) CA2STSTHRBTHRAFUT7
SCHEMBL11335768 0.92 MEN1 (0.52) ALDH1A1LMNATP53CYP3A4S1PR1
SCHEMBL10181464 0.88 CA2 (0.54) CA2STSTHRBTHRAFUT7
SCHEMBL2958932 0.87 ALDH1A1 (0.47) CA2STSTHRBTHRAFUT7
SCHEMBL27743308 0.86 CA2 (0.49) CA2STSTHRBTHRAFUT7
SCHEMBL27764196 0.86 CA2 (0.49) CA2STSTHRBTHRAFUT7
SCHEMBL5158597 0.86 ALDH1A1 (0.46) CA2STSTHRBTHRAFUT7
SCHEMBL3374603 0.85 CA2 (0.54) CA2STSTHRBTHRAFUT7

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-1309631-B1 ALKYLARYL AND ARYLALKYL MONOSULFONIC ACID CATALYSTS FOR CROSSLINKING POLYETHYLENE KING INDUSTRIES INC (US) 2005-04-27 EP disclosed
EP-1309631-A4 ALKYLARYL AND ARYLALKYL MONOSULFONIC ACID CATALYSTS FOR CROSSLINKING POLYETHYLENE KING INDUSTRIES INC (US) 2004-07-28 EP disclosed
EP-1309631-A1 ALKYLARYL AND ARYLALKYL MONOSULFONIC ACID CATALYSTS FOR CROSSLINKING POLYETHYLENE KING INDUSTRIES, INC. (US) 2003-05-14 EP disclosed
US-6441097-B1 USING A SULFONATE COMPOUND AS CROSSLINKING AGENT KING INDUSTRIES, INC. 2002-08-27 US disclosed
US-20020035213-A1 Alkylaryl and arylalkyl monosulfonic acid catalysts for crosslinking polyethylene KING INDUSTRIES,INC. 2002-03-21 US disclosed
WO-2002012354-A1 ALKYLARYL AND ARYLALKYL MONOSULFONIC ACID CATALYSTS FOR CROSSLINKING POLYETHYLENE KING INDUSTRIES, INC. (US) 2002-02-14 WO disclosed