SCHEMBL6423701

SCHEMBL6423701

CC[C](Cc1ccc(OCCN2CCCCC2)cc1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
ESR1 P03372 8/20 0.44
ESR2 Q92731 3/20 0.44
HRH3 Q9Y5N1 5/20 0.43
MAOB P27338 1/20 0.40

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
SCHEMBL229972 0.82 LTA4H (0.49) LTA4HESR1ESR2HRH3MAOB
SCHEMBL227766 0.82 LTA4H (0.49) LTA4HESR1ESR2HRH3MAOB
SCHEMBL228974 0.81 LTA4H (0.54) LTA4HESR1ESR2HRH3MAOB
SCHEMBL227713 0.80 LTA4H (0.48) LTA4HESR1ESR2HRH3MAOB
SCHEMBL226148 0.80 LTA4H (0.48) LTA4HESR1ESR2HRH3MAOB
SCHEMBL228940 0.80 ESR1 (0.58) LTA4HESR1ESR2HRH3
SCHEMBL226484 0.80 ESR1 (0.58) LTA4HESR1ESR2HRH3
SCHEMBL227374 0.80 LTA4H (0.47) LTA4HESR1ESR2HRH3MAOB
SCHEMBL227373 0.80 LTA4H (0.47) LTA4HESR1ESR2HRH3MAOB
SCHEMBL4419894 0.79 LTA4H (0.48) LTA4HESR1ESR2HRH3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed