SCHEMBL6152202

SCHEMBL6152202

COc1ccc2c(C(O)c3ccc(OCCC4CCCCN4)cc3)c(Cc3ccc(F)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.39
CHEK2 O96017 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
AURKB Q96GD4 1/20 0.34
SSTR2 P30874 1/20 0.34

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
SCHEMBL6151897 0.83 CHEK2 (0.43) LTA4HCHEK2AURKB
SCHEMBL5826619 0.82 LTA4H (0.49) LTA4H
SCHEMBL6205268 0.81 SSTR2 (0.39) CHEK2CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL5706374 0.81 SSTR2 (0.35) LTA4HCHEK2CYP1A2CYP2D6CYP2C19
SCHEMBL6205481 0.79 SSTR2 (0.39) LTA4HCHEK2CYP1A2CYP2D6CYP2C19
SCHEMBL5706983 0.78 MAPK1 (0.38) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6192185 0.77 CHEK2 (0.36) LTA4HCHEK2CYP2D6SSTR2
SCHEMBL6238825 0.77 ESR1 (0.42) CHEK2SSTR2
SCHEMBL5707024 0.76 SSTR2 (0.37) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6004700 0.76 ESR1 (0.40) LTA4HCHEK2SSTR2

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-1546139-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-29 EP claimed
WO-2004029047-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-04-08 WO claimed
EP-1546139-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004029047-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-04-08 WO disclosed