SCHEMBL9966912

SCHEMBL9966912

CC1CCN(CCOc2ccc(Cc3c(O)ccc4ccccc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ LTA4H P09960 8/20 0.51
▸ HRH3 Q9Y5N1 6/20 0.51
▸ SIGMAR1 Q99720 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL9966913 0.88 LTA4H (0.62) LTA4HHRH3
SCHEMBL9940347 0.88 LTA4H (0.61) KDM4ELTA4HHRH3ALDH1A1
SCHEMBL9966806 0.88 ESR1 (0.60) KDM4EHRH3SIGMAR1
SCHEMBL9966911 0.87 LTA4H (0.62) KDM4ELTA4HHRH3ALDH1A1
SCHEMBL9940230 0.87 LTA4H (0.62) KDM4ELTA4HHRH3ALDH1A1
SCHEMBL9967004 0.86 LTA4H (0.50) KDM4ELTA4HHRH3SIGMAR1ALDH1A1
SCHEMBL9940186 0.85 HRH3 (0.51) KDM4ELTA4HHRH3SIGMAR1ALDH1A1
SCHEMBL9935250 0.85 LTA4H (0.63) KDM4ELTA4H
SCHEMBL9966786 0.84 HRH3 (0.53) KDM4ELTA4HHRH3SIGMAR1ALDH1A1
SCHEMBL9966830 0.84 LTA4H (0.51) KDM4ELTA4HHRH3SIGMAR1ALDH1A1

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
WO-2012079154-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS DALHOUSIE UNIVERSITY (CA) 2012-06-21 — — WO disclosed
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