SCHEMBL7918684

SCHEMBL7918684

Fc1ccc[c]c1Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.59
PTGS2 P35354 5/20 0.52
PTGS1 P23219 1/20 0.52
HRH3 Q9Y5N1 3/20 0.51
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51

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
SCHEMBL4931221 0.85 KDM4E (0.48) LTA4H
SCHEMBL7918324 0.85 LTA4H (0.57) LTA4HPTGS2PTGS1HRH3PSMB1
SCHEMBL7927623 0.84 LTA4H (0.58) LTA4HPTGS2PTGS1HRH3PSMB1
SCHEMBL7138014 0.75 LTA4H (1.00) LTA4HPTGS2PTGS1HRH3PSMB1
SCHEMBL5175292 0.75 LTA4H (0.62) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL13698801 0.75 LTA4H (0.87) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7141714 0.73 LTA4H (1.00) LTA4HPTGS2PTGS1HRH3PSMB1
SCHEMBL7135488 0.72 MCHR1 (0.73) LTA4HPSMB1PSMB5PSMB2
SCHEMBL188519 0.72 PSMB1 (0.65) LTA4HPTGS2PTGS1HRH3PSMB1
SCHEMBL5114639 0.72 PSMB1 (0.65) LTA4HPTGS2PTGS1HRH3PSMB1

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-0729956-B1 Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2001-10-31 EP disclosed
EP-1113013-A1 Benzothiophene compounds, intermediates, compositions and methods Eli Lilly & Company (US) 2001-07-04 EP disclosed
EP-0729956-A1 Benzothiophene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed