SCHEMBL28512706

SCHEMBL28512706

CCCCCCCCC(O)(CCCCCCCC)c1ccccc1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
EPHX1 P07099 3/20 0.39
KCNH3 Q9ULD8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 2/20 0.36
SOAT1 P35610 3/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
SOAT2 O75908 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 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
SCHEMBL8962174 0.82 GAA (0.41) GAAEPHX1KCNH3ALDH1A1HTT
SCHEMBL15957743 0.79 GAA (0.40) GAAEPHX1KCNH3ALDH1A1HTT
SCHEMBL23450313 0.73 KCNH3 (0.37) GAAEPHX1KCNH3ALDH1A1HTT
Diphenylamine SCHEMBL27507095 0.73 HSD17B10 (0.60) GAAEPHX1KCNH3ALDH1A1HTT
Diphenylamine SCHEMBL28868778 0.73 HSD17B10 (0.60) GAAEPHX1KCNH3ALDH1A1HTT
SCHEMBL8746945 0.72 CNR2 (0.43)
SCHEMBL3422456 0.72 SIGMAR1 (0.46) GAAALDH1A1MEN1KMT2ACYP2C19
SCHEMBL31916 0.72 MAPT (0.47) GAAKCNH3ALDH1A1MEN1KMT2A
SCHEMBL3809940 0.72 SIGMAR1 (0.46) GAAALDH1A1MEN1KMT2ACYP2C19
SCHEMBL11643873 0.72 SIGMAR1 (0.46) GAAALDH1A1MEN1KMT2ACYP2C19

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
CN-108299481-B Electroluminescent polymerization monomer, polymer, preparation method and application thereof 华南协同创新研究院 2020-10-09 CN disclosed