SCHEMBL9940218

SCHEMBL9940218

C=CCN(CC=C)CCOc1ccc(CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
LTA4H P09960 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL7055956 0.81 KDM4E (0.67) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3953775 0.79 KDM4E (0.59) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3953773 0.79 KDM4E (0.59) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9935084 0.78 CYP2D6 (0.66) KDM4EKMT2AMEN1CYP1A2LTA4H
SCHEMBL29334676 0.78 KDM4E (0.48) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9292741 0.78 ALDH1A1 (0.49) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5176969 0.77 KDM4E (0.65) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL219418 0.77 KDM4E (0.60) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11649743 0.74 HRH3 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1LTA4H
SCHEMBL185585 0.74 HRH3 (0.70) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1

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