SCHEMBL6151300

SCHEMBL6151300

O=S(=O)(NCc1ccc(OC2CCCCO2)cc1)c1ccccc1-c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.43
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
PLK1 P53350 2/20 0.40
HRH3 Q9Y5N1 4/20 0.39
KCNH2 Q12809 2/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL5863370 0.78 LTA4H (0.61) LTA4HHRH3KCNH2
SCHEMBL5863662 0.73 LTA4H (0.45) LTA4HHRH3KCNH2
SCHEMBL5864067 0.71 HTR1A (0.41) LTA4HHRH3KCNH2AXLMERTK
SCHEMBL5863673 0.70 LTA4H (0.59) LTA4HHRH3KCNH2
SCHEMBL5864259 0.70 MCHR1 (0.55) LTA4HHRH3
SCHEMBL5863641 0.69 LTA4H (0.54) LTA4HHRH3KCNH2
SCHEMBL17845123 0.69 ESR1 (0.46) LTA4HHRH3KCNH2ESR1
SCHEMBL5863874 0.69 MMP1 (0.44) LTA4HHRH3KCNH2ESR1ESR2
SCHEMBL5863622 0.69 MMP1 (0.51) LTA4HHRH3KCNH2
SCHEMBL7800033 0.68 OXTR (0.43) OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO disclosed