SCHEMBL7918786

SCHEMBL7918786

CCS(=O)(=O)Oc1c[c]c(Oc2ccc(OCCN3CCCCC3)cc2)c(OS(=O)(=O)CC)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.47
ENPP3 O14638 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS2 P35354 7/20 0.45
PTGS1 P23219 3/20 0.45
PSMB1 P20618 3/20 0.43
PSMB5 P28074 3/20 0.43
PSMB2 P49721 2/20 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
SCHEMBL7926826 0.82 LTA4H (0.45) LTA4HHRH3KCNH2KDM4EPTGS2
SCHEMBL7778580 0.81 LTA4H (0.53) LTA4HHRH3PTGS2PTGS1PSMB1
SCHEMBL7212312 0.76 PSMB1 (0.49) LTA4HHRH3KCNH2KDM4EPTGS2
SCHEMBL7650467 0.76 KDM4E (0.57) LTA4HKDM4EPTGS2PTGS1PSMB1
SCHEMBL7108553 0.74 KDM4E (0.49) LTA4HKDM4EPTGS2PTGS1PSMB1
SCHEMBL7466056 0.74 LTA4H (0.61) LTA4HHRH3KCNH2KDM4E
SCHEMBL3130426 0.71 LTA4H (0.52) LTA4HHRH3PTGS2PTGS1PSMB1
SCHEMBL7777295 0.70 LTA4H (0.53) LTA4HPTGS2PTGS1PSMB1PSMB5
SCHEMBL13297167 0.68 KDM4E (0.82) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL13588809 0.67 HRH3 (0.68) LTA4HHRH3KCNH2KDM4EPSMB1

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