SCHEMBL5706374

SCHEMBL5706374

COc1ccc2c(C(O)c3ccc(OCCC4CCCCN4)cc3)c(-c3ccc(F)cc3OCc3ccccc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.35
LTA4H P09960 3/20 0.34
TLR9 Q9NR96 4/20 0.34
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
SYK P43405 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.33
CHEK2 O96017 1/20 0.33
GHSR Q92847 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5707024 0.94 SSTR2 (0.37) SSTR2LTA4HTLR9MAPK1CYP2D6
SCHEMBL5706983 0.89 MAPK1 (0.38) SSTR2LTA4HMAPK1CYP2D6CYP2C19
SCHEMBL5706406 0.85 CHEK2 (0.39) LTA4HTLR9TLR7CHEK2L3MBTL1
SCHEMBL4924892 0.84 LTA4H (0.46) LTA4H
SCHEMBL6205481 0.82 SSTR2 (0.39) SSTR2LTA4HMAPK1CYP2D6CYP2C19
SCHEMBL6205268 0.81 SSTR2 (0.39) SSTR2MAPK1CYP2D6CYP2C19CYP1A2
SCHEMBL6152202 0.81 LTA4H (0.39) SSTR2LTA4HCYP2D6CYP2C19CYP1A2
SCHEMBL6004700 0.81 ESR1 (0.40) SSTR2LTA4HCHEK2
SCHEMBL6005134 0.79 ESR1 (0.42) SSTR2LTA4HCHEK2
SCHEMBL5706929 0.78 CHEK2 (0.40) LTA4HTLR9TLR7CHEK2L3MBTL1

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-1713820-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005073244-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed