SCHEMBL6911774

SCHEMBL6911774

CCCCN(CCC=C(C)C(N)=O)CCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
KDM5A P29375 3/20 0.36
FAAH O00519 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD3 P35462 1/20 0.35
SCN1A P35498 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SOAT1 P35610 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9514317 0.93 CA12 (0.37) CA12CA1CA9KDM5AFAAH
SCHEMBL6260809 0.89 CA12 (0.33) CA12CA9FAAH
SCHEMBL8605172 0.88 EP300 (0.38) CA12CA1CA9KDM5AFAAH
SCHEMBL6449819 0.86 EP300 (0.41) KDM5AFAAHCYP1A2CYP3A4SOAT1
SCHEMBL9465808 0.86 FAAH (0.32) CA12CA9FAAHCYP1A2CYP3A4
SCHEMBL302900 0.84 KDM5A (0.40) CA12CA1CA9KDM5AFAAH
SCHEMBL2383882 0.83 CHRM2 (0.34) LMNACHRM2CYP2D6CYP2C19
SCHEMBL894271 0.83 CHRM2 (0.34) LMNACHRM2CYP2D6CYP2C19
SCHEMBL180917 0.81 EP300 (0.42) CA1FAAHCYP1A2CYP3A4SOAT1
SCHEMBL21803848 0.81 EP300 (0.42) CA1FAAHCYP1A2CYP3A4SOAT1

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-20040054041-A1 NOVEL POLYMER BINDER SYSTEMS COMPRISING IONIC LIQUIDS DEGUSSA AG (DE) 2004-03-18 US disclosed