SCHEMBL7926826

SCHEMBL7926826

COc1c[c]c(Oc2ccc(OCCN3CCCCC3)cc2)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.45
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ESR1 P03372 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PSMB1 P20618 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB2 P49721 2/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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 0.85 LTA4H (0.53) LTA4HPTGS2POLBMAPTHRH3
SCHEMBL7918786 0.82 LTA4H (0.47) LTA4HPTGS2KCNH2HRH3KDM4E
SCHEMBL1359779 0.78 ESR1 (0.51) ESR1
SCHEMBL1359072 0.78 ESR1 (0.51) ESR1
Hydrochloric Acid SCHEMBL2183048 0.78 ESR1 (0.51) ESR1
SCHEMBL7212312 0.77 PSMB1 (0.49) LTA4HPTGS2KCNH2HRH3KDM4E
SCHEMBL7466056 0.76 LTA4H (0.61) LTA4HKCNH2HRH3KDM4E
SCHEMBL7108553 0.75 KDM4E (0.49) LTA4HPTGS2POLBMAPTESR1
SCHEMBL1358434 0.73 ESR1 (0.51) LTA4HESR1PSMB1PSMB5PSMB2
SCHEMBL5418196 0.73 ESR1 (0.49) LTA4HESR1

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-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
US-5977093-A INHIBITING ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
EP-0729956-A1 Benzothiophene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed