SCHEMBL9935827

SCHEMBL9935827

CC1CCN(CCOc2ccc(C=O)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
KDM4E B2RXH2 3/20 0.59
RECQL P46063 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 7/20 0.56
KMT2A Q03164 1/20 0.54
MAOB P27338 1/20 0.52
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL15019276 0.92 KDM4E (0.59) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL15040817 0.92 KDM4E (0.59) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL15040812 0.92 KDM4E (0.59) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL5217666 0.84 LTA4H (0.62) SIGMAR1KDM4EKMT2A
SCHEMBL2249200 0.83 LTA4H (0.68) KDM4EHRH3
SCHEMBL4475207 0.82 MCHR1 (0.77) SIGMAR1HRH3HRH2HRH1
SCHEMBL225017 0.82 PSMB1 (0.69) KDM4EHRH3
SCHEMBL27593 0.82 PSMB1 (0.69) KDM4EHRH3
SCHEMBL19234679 0.82 SIGMAR1 (0.73) SIGMAR1KDM4ERECQLTDP1HRH3
SCHEMBL23366756 0.81 SIGMAR1 (0.71) SIGMAR1KDM4ERECQLTDP1HRH3

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