SCHEMBL6152532

SCHEMBL6152532

COc1ccc2c(C(O)c3ccc(OCCC4CCCCN4)cc3)c(Cc3ccccc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.43
MAPK1 P28482 2/20 0.37
AURKB Q96GD4 1/20 0.36
CHEK2 O96017 1/20 0.36
SSTR2 P30874 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL6152840 0.83 ESR1 (0.49) LTA4HCHEK2
SCHEMBL5826624 0.82 LTA4H (0.53) LTA4H
SCHEMBL5706983 0.77 MAPK1 (0.38) LTA4HMAPK1AURKBSSTR2HPGD
SCHEMBL5707024 0.76 SSTR2 (0.37) LTA4HMAPK1SSTR2HPGDALDH1A1
SCHEMBL6152202 0.75 LTA4H (0.39) LTA4HAURKBCHEK2SSTR2CYP2D6
SCHEMBL5706374 0.74 SSTR2 (0.35) LTA4HMAPK1CHEK2SSTR2HPGD
SCHEMBL6205481 0.74 SSTR2 (0.39) LTA4HMAPK1CHEK2SSTR2HPGD
SCHEMBL8476007 0.73 LTA4H (0.55) LTA4H
SCHEMBL13809106 0.73 LTA4H (0.76) LTA4H
SCHEMBL7326422 0.73 LTA4H (0.76) LTA4H

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