SCHEMBL4726264

SCHEMBL4726264

CN(CCO)CCCCCCCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
KDM4C Q9H3R0 9/20 0.41
KDM5A P29375 9/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM4A O75164 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3317557 0.91 LTA4H (0.39) CHRM2KDM4CKDM5APHF8KDM4A
SCHEMBL3319751 0.85 KMT2A (0.41) THRATHRBMEN1KMT2ALTA4H
SCHEMBL12051225 0.83 GPR84 (0.54) KDM4CKDM5APHF8KDM4AKDM5C
SCHEMBL26495622 0.83 GPR84 (0.54) KDM4CKDM5APHF8KDM4AKDM5C
SCHEMBL26495489 0.83 GPR84 (0.54) KDM4CKDM5APHF8KDM4AKDM5C
SCHEMBL30074288 0.82 LTA4H (0.47) CHRM2KDM4CKDM5APHF8KDM4A
SCHEMBL27972459 0.82 LTA4H (0.42) CHRM2KDM4CKDM5APHF8KDM4A
SCHEMBL15233375 0.82 CHRM2 (0.52) CHRM2KDM4CKDM5APHF8KDM4A
SCHEMBL26495422 0.81 KDM4C (0.51) KDM4CKDM5APHF8KDM4AKDM5C
Octadecanoic Acid Amide SCHEMBL7165770 0.79 S1PR2 (0.46) KDM4CKDM5APHF8THRATHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015437-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-02-07 WO claimed
WO-2008015437-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-02-07 WO disclosed