SCHEMBL6901744

SCHEMBL6901744

CCCCCCCCCCCCCCCC/C=C/S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.51
TLR9 Q9NR96 1/20 0.48
PTPN1 P18031 1/20 0.46
CDC25B P30305 1/20 0.46
DUSP3 P51452 1/20 0.46
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 3/20 0.43
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MUS81 Q96NY9 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6901746 1.00 EPHX2 (0.51) EPHX2TLR9PTPN1CDC25BDUSP3
SCHEMBL8366439 0.98 TLR9 (0.50) EPHX2TLR9PTPN1CDC25BDUSP3
SCHEMBL8366438 0.98 TLR9 (0.50) EPHX2TLR9PTPN1CDC25BDUSP3
SCHEMBL7011858 0.93 TLR9 (0.52) EPHX2TLR9PTPN1CDC25BDUSP3
SCHEMBL7011863 0.93 TLR9 (0.52) EPHX2TLR9PTPN1CDC25BDUSP3
SCHEMBL5077216 0.83 EPHX2 (0.47) EPHX2TLR9SOAT2SOAT1TDP1
SCHEMBL7795086 0.82 TLR9 (0.61) EPHX2TLR9SOAT2SOAT1TDP1
SCHEMBL16168390 0.82 CTSK (0.41) EPHX2TLR9PTPN1CDC25BDUSP3
SCHEMBL7330132 0.81 TDP1 (0.47) EPHX2TLR9SOAT2SOAT1TDP1
SCHEMBL6469846 0.80 TLR9 (0.44) EPHX2TLR9SOAT2SOAT1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730747-B1 FORMED FROM ACYCLIC CARBONYL COMPOUNDS AND UNSATURATED HYDROCARBONS INFINEUM USA L.P. 2004-05-04 US disclosed
US-6462140-B2 CONTACTING AN OLEFIN POLYMER CONTAINING AN ALLYLIC HYDROGEN AND HAVING A MOLECULAR WEIGHT BETWEEN 500 AND 10,000,000 WITH AN ACYCLIC CARBONYL EXXON RESEARCH & ENGINEERING CO. 2002-10-08 US disclosed
US-20010007893-A1 Carbonyl containing compounds EXXON RESEARCH & ENGINEERING CO. 2001-07-12 US disclosed
US-6077915-A Carbonyl containing compounds EXXON RESEARCH & ENGINEERING (US) 2000-06-20 US disclosed
EP-0738253-A4 CARBONYL CONTAINING COMPOUNDS EXXON RESEARCH ENGINEERING CO (US) 1997-03-12 EP disclosed
EP-0738253-A1 CARBONYL CONTAINING COMPOUNDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-10-23 EP disclosed
WO-1995015303-A1 CARBONYL CONTAINING COMPOUNDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1995-06-08 WO disclosed