SCHEMBL8612072

SCHEMBL8612072

CCC(C)(O)CCc1c(C)c(O)c(C)c(C)c1OCCCC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C8 P10632 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ADRA1A P35348 1/20 0.40
PPARG P37231 1/20 0.40
HTR2B P41595 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
LTB4R Q15722 6/20 0.34
LNPEP Q9UIQ6 1/20 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
SCHEMBL8612087 0.84 PPARA (0.40) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8611130 0.83 PPARA (0.41) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8612080 0.82 PPARA (0.39) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8611361 0.81 PPARA (0.40) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11091339 0.76 PPARA (0.56) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8614957 0.71 PPARA (0.41) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL8611371 0.70 PPARA (0.39) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11090322 0.69 ACLY (0.44) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11095485 0.68 PPARA (0.62) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL27805182 0.67 PPARA (0.57) PPARATTRCYP1A2CYP2C8CHRM1

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