SCHEMBL7927623

SCHEMBL7927623

Oc1ccc[c]c1Oc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.58
PTGS2 P35354 4/20 0.53
PTGS1 P23219 1/20 0.53
PSMB1 P20618 2/20 0.50
PSMB5 P28074 2/20 0.50
PSMB2 P49721 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL7918324 0.99 LTA4H (0.57) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL7918684 0.84 LTA4H (0.59) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL7777295 0.81 LTA4H (0.53) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL3130426 0.80 LTA4H (0.52) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL7141714 0.74 LTA4H (1.00) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL2475993 0.74 ESR1 (0.75) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL1359959 0.73 ESR1 (0.76) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL699174 0.73 ESR1 (0.76) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL4931221 0.72 KDM4E (0.48) LTA4H
SCHEMBL6968065 0.72 TDP1 (0.55)

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