SCHEMBL6424596

SCHEMBL6424596

COc1ccc(-c2ccc3cc(OC)ccc3c2)c(-c2cc(OCCN3CCCCC3)ccc2C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.49
MAOB P27338 1/20 0.47
ACHE P22303 1/20 0.47
LTA4H P09960 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6424040 0.87 ESR1 (0.55)
SCHEMBL229420 0.83 BACE1 (0.58) FLT3LTA4HHRH3KDM4EALDH1A1
SCHEMBL229153 0.78 LTA4H (0.61) LTA4HHRH3
SCHEMBL227235 0.78 LTA4H (0.61) LTA4HHRH3
SCHEMBL15474972 0.77 LTA4H (0.54) MAOBACHELTA4HHRH3ALDH1A1
SCHEMBL7092816 0.77 ESR1 (0.63) ACHEALDH1A1KMT2A
SCHEMBL6749914 0.77 BCHE (0.58) MAOBACHEHRH3KDM4EALDH1A1
SCHEMBL226318 0.77 ESR1 (0.60) FLT3LTA4HKDM4E
SCHEMBL227226 0.77 ESR1 (0.60) FLT3LTA4HKDM4E
SCHEMBL1578671 0.76 LTA4H (0.56) MAOBACHELTA4H

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