SCHEMBL8612197

SCHEMBL8612197

CCC1CCc2c(C)c(O)c(C)c(C)c2OCCCCC(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 1/20 0.34
ALPG P10696 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALOX5 P09917 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CAPN1 P07384 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8613993 0.84 CA1 (0.42) CYP1A2PTGS1PTGS2CYP3A4TSHR
SCHEMBL8613244 0.83 CYP1A2 (0.38) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL7068288 0.75 CA1 (0.52) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL12713304 0.74 CYP3A4 (0.42) CYP1A2CYP2C19PTGS1PTGS2CYP3A4
SCHEMBL31293711 0.69 CYP1A2 (0.46) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL319602 0.69 CYP1A2 (0.46) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL14301483 0.69 CYP1A2 (0.46) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL8610857 0.69 PTGS1 (0.40) CYP1A2CYP2C19PTGS1PTGS2CYP3A4
SCHEMBL24730989 0.68 CYP1A2 (0.44) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2
SCHEMBL6839262 0.68 CYP1A2 (0.44) CYP1A2CYP2D6ALPGCYP2C19SMN1; SMN2

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