SCHEMBL29110820

SCHEMBL29110820

[CH2]C(C)C(C(=O)c1c(CC)cccc1CC)C(=O)c1c(CC)cccc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
ANPEP P15144 1/20 0.34
UBE2N P61088 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CLCN2 P51788 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32

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
SCHEMBL5997790 0.77 GABRA1 (0.45) GABRA1GABRB2ANPEPALDH1A1POLB
SCHEMBL21292123 0.76 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28458272 0.73 CA12 (0.53) ALDH1A1ALOX15ALOX12LMNASMN1; SMN2
SCHEMBL14655642 0.73 TP53 (0.44) ALDH1A1ADRA2ALMNA
SCHEMBL24469492 0.72 CA12 (0.48) GABRA1GABRB2ALDH1A1HTTBID
SCHEMBL11750664 0.71 GABRA1 (0.56) GABRA1GABRB2ALDH1A1CLCN2ALOX15
SCHEMBL24469675 0.70 GABRA1 (0.42) GABRA1GABRB2CACNA1CSCN5AANPEP
SCHEMBL6467859 0.70 GABRA1 (0.42) GABRA1GABRB2ALDH1A1POLBHTT
SCHEMBL27595850 0.69 GABRA1 (0.37) GABRA1GABRB2CACNA1CSCN5AALDH1A1
SCHEMBL16414537 0.69 GABRA1 (0.54) GABRA1GABRB2CLCN2BIDMCL1

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
CN-116917363-A Composition containing compound having polyoxyalkylene chain and compound having poly (meth) acrylate chain 株式会社力森诺科 2023-10-20 CN disclosed
CN-116917361-A Composition containing compound having polyoxyalkylene chain and (meth) acrylamide compound 株式会社力森诺科 2023-10-20 CN disclosed