SCHEMBL7212312

SCHEMBL7212312

COc1cc(OC(C)C)c[c]c1Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.49
PSMB5 P28074 4/20 0.49
KDM4E B2RXH2 1/20 0.46
LTA4H P09960 10/20 0.46
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.44
PSMB2 P49721 3/20 0.44
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7778580 0.90 LTA4H (0.53) PSMB1PSMB5LTA4HPTGS2PTGS1
SCHEMBL7108553 0.84 KDM4E (0.49) PSMB1PSMB5KDM4ELTA4HPTGS2
SCHEMBL7466056 0.83 LTA4H (0.61) KDM4ELTA4HALDH1A1HRH3KCNH2
SCHEMBL7926826 0.77 LTA4H (0.45) PSMB1PSMB5KDM4ELTA4HPTGS2
SCHEMBL7918786 0.76 LTA4H (0.47) PSMB1PSMB5KDM4ELTA4HPTGS2
SCHEMBL7469979 0.75 LTA4H (0.51) PSMB1PSMB5KDM4ELTA4HHRH3
SCHEMBL7650467 0.74 KDM4E (0.57) PSMB1PSMB5KDM4ELTA4HALDH1A1
SCHEMBL3130426 0.72 LTA4H (0.52) PSMB1PSMB5LTA4HPTGS2PTGS1
SCHEMBL15257179 0.71 LTA4H (0.82) PSMB1PSMB5KDM4ELTA4HPSMB2
SCHEMBL14970684 0.71 LTA4H (0.82) PSMB1PSMB5KDM4ELTA4HPSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357903-A2 STABILIZED FORMULATIONS OF 6-HYDROXY-3-(4- 2-(PIPERIDIN-1-YL) ETHOXY]PHENOXY)-2-(4-METHOXYPHENYL) BENZO b]THIOPHENE AND SALTS THEREOF ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
EP-1204655-A2 A CRYSTALLINE FORM OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL)ETHOXY] PHENOXY)-2-(4-METHOXYPHENYL)BENZO[B]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001085147-A2 STABILIZED FORMULATIONS OF 6-HYDROXY-3-(4-[2-(PIPERIDIN-1-YL) ETHOXY]PHENOXY)-2-(4-METHOXYPHENYL) BENZO[b]THIOPHENE AND SALTS THEREOF ELI LILLY AND COMPANY (US) 2001-11-15 WO disclosed
WO-2001009115-A2 A NOVEL CRYSTALLINE FORM OF 6-HYDROXY-3- (4-[2-(PIPERIDIN-1- YL)ETHOXY] PHENOXY)-2- (4-METHOXYPHENYL) BENZO[b]THIOPHENE HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed