SCHEMBL6907084

SCHEMBL6907084

CCCCCCCCCCCCCCCCC=CSc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.44
SOAT1 P35610 1/20 0.44
PLA2G10 O15496 1/20 0.42
EPHX2 P34913 4/20 0.42
FAAH O00519 2/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL6907080 1.00 SOAT2 (0.44) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL5145612 0.81 SOAT2 (0.40) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL5077126 0.81 SOAT2 (0.40) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL5144120 0.81 SOAT2 (0.40) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL6970166 0.79 SOAT2 (0.37) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL8923218 0.77 EPHX2 (0.51) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL9138095 0.77 PLA2G10 (0.50) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL9138091 0.77 PLA2G10 (0.50) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL8923200 0.77 EPHX2 (0.51) SOAT2SOAT1PLA2G10EPHX2FAAH
SCHEMBL19448362 0.77 ALDH1A1 (0.42)

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