SCHEMBL5089381

SCHEMBL5089381

CCCCC(CC)Cn1ccnc1C(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TLR8 Q9NR97 2/20 0.36
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL27959808 0.78 KCNH2 (0.40) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL19582677 0.76 L3MBTL1 (0.40) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL28164150 0.75 KCNH2 (0.39) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL21514092 0.75 KMT2A (0.54) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL21514090 0.75 TLR8 (0.41) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL7557979 0.73 TLR8 (0.37) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL27980060 0.72 AGTR1 (0.35) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL1854500 0.72 TLR8 (0.40) ALDH1A1KMT2APOLBTLR8KDM4E
Acetic Acid SCHEMBL28899029 0.71 AGTR1 (0.35) ALDH1A1KMT2APOLBTLR8KDM4E
SCHEMBL20994722 0.71 TLR8 (0.39) ALDH1A1KMT2APOLBTLR8KDM4E

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-2008006834-A2 USE OF IMIDAZOLE COMPOUNDS AS PLASTICISERS BASF SE (DE) 2008-01-17 WO disclosed