SCHEMBL8611730

SCHEMBL8611730

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.42
CYSLTR1 Q9Y271 6/20 0.42
IMPDH1 P20839 2/20 0.37
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PLA2G4B P0C869 2/20 0.36
IMPDH2 P12268 2/20 0.34
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IAPP P10997 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL8610924 0.87 CYSLTR2 (0.43) CYSLTR2CYSLTR1IMPDH1LTB4RLTB4R2
SCHEMBL8613208 0.85 CYSLTR2 (0.38) CYSLTR2CYSLTR1IMPDH1LTB4RLTB4R2
SCHEMBL8610989 0.84 CYSLTR2 (0.39) CYSLTR2CYSLTR1IMPDH1LTB4RLTB4R2
SCHEMBL8612091 0.81 CYSLTR2 (0.40) CYSLTR2CYSLTR1IMPDH1LTB4RLTB4R2
SCHEMBL8611172 0.73 CYSLTR2 (0.38) CYSLTR2CYSLTR1IMPDH1LTB4RLTB4R2
SCHEMBL8611130 0.70 PPARA (0.41) CYSLTR2CYSLTR1LTB4RTSHR
SCHEMBL8611371 0.69 PPARA (0.39) LTB4RTSHR
SCHEMBL7328569 0.69 TSHR (0.46) IMPDH1TBXA2RALDH1A1TSHR
SCHEMBL9848754 0.69 HDAC11 (0.41) IMPDH1IMPDH2TBXA2RALDH1A1TSHR
SCHEMBL8611361 0.66 PPARA (0.40) LTB4RTSHR

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-0718295-B1 Lactones with antioxidising and hypolipidaemic activity useful in the therapy of the atherosclerosis ALFA WASSERMANN SPA (IT) 1998-04-22 EP claimed
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 claimed
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 claimed
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