SCHEMBL15061347

SCHEMBL15061347

[CH2]CCCCCc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
KCNH2 Q12809 1/20 0.49
GRIN2B Q13224 1/20 0.49
EPHX2 P34913 2/20 0.46
LTA4H P09960 2/20 0.46
HRH1 P35367 2/20 0.46
MGLL Q99685 2/20 0.46
BCHE P06276 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HMOX1 P09601 2/20 0.42

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
SCHEMBL8796893 0.87 F2 (0.54) F2KCNH2GRIN2BEPHX2LTA4H
SCHEMBL5537147 0.84 LTA4H (0.66) EPHX2LTA4HMGLLBCHE
SCHEMBL8573859 0.83 HRH1 (0.63) HRH1NPC1HTTSMN1; SMN2CYP3A4
SCHEMBL16289702 0.83 HRH1 (0.63) HRH1NPC1HTTSMN1; SMN2CYP3A4
SCHEMBL863724 0.83 HRH1 (0.63) HRH1NPC1HTTSMN1; SMN2CYP3A4
SCHEMBL8567865 0.83 HRH1 (0.63) HRH1NPC1HTTSMN1; SMN2CYP3A4
SCHEMBL23642807 0.83 EPHX2 (0.64) F2KCNH2GRIN2BEPHX2LTA4H
SCHEMBL15061245 0.83 APP (0.56) BCHENPC1SMN1; SMN2
SCHEMBL15061351 0.83 MAOB (0.59) EPHX2LTA4HMGLLBCHE
SCHEMBL15061343 0.83 MAOB (0.61) EPHX2LTA4HMGLLBCHE

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
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed