SCHEMBL8613208

SCHEMBL8613208

CCC(=O)CCc1c(C)c(OC(C)=O)c(C)c(C)c1OCCCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.38
CYSLTR1 Q9Y271 6/20 0.38
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PLA2G4B P0C869 3/20 0.34
PPARA Q07869 1/20 0.34
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
IMPDH1 P20839 2/20 0.32

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
SCHEMBL8611172 0.89 CYSLTR2 (0.38) CYSLTR2CYSLTR1LTB4RLTB4R2THRA
SCHEMBL8611730 0.85 CYSLTR2 (0.42) CYSLTR2CYSLTR1LTB4RLTB4R2THRA
SCHEMBL11704397 0.83 IAPP (0.33)
SCHEMBL8610924 0.74 CYSLTR2 (0.43) CYSLTR2CYSLTR1LTB4RLTB4R2THRA
SCHEMBL8614957 0.72 PPARA (0.41) LTB4RPPARATSHR
SCHEMBL8610989 0.69 CYSLTR2 (0.39) CYSLTR2CYSLTR1LTB4RLTB4R2THRA
SCHEMBL10383779 0.69 CA2 (0.35) THRBALDH1A1TSHRIMPDH1
SCHEMBL10474808 0.69 IMPDH2 (0.40) IMPDH1
SCHEMBL8612091 0.68 CYSLTR2 (0.40) CYSLTR2CYSLTR1LTB4RLTB4R2THRA
SCHEMBL11705121 0.66 NPC1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718295-B1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN SPA (IT) 1998-04-22 EP disclosed
US-5608084-A AND VASCULAR PATHOLOGIES; MULTISTEP PREPARATION BY REACTING A HYDROQUINONE WITH ALKYL VINYL KETONE, ESTERIFYING HYDROXY 3,4-DIHYDRO-2H-1-BENZOPYRAN, DEMETHYLATING ETHER, REACTING WITH ALKYL 5-BROMOPENTANOATE, HYDROLYZING, TWO MORE STEPS ALFA WASSERMANN S.P.A. (IT) 1997-03-04 US disclosed
EP-0718295-A1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN S.p.A. (IT) 1996-06-26 EP disclosed