SCHEMBL28296896

SCHEMBL28296896

Cc1ccc(C(c2ccccc2)c2ccccc2O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.43
LMNA P02545 2/20 0.43
ADRA1A P35348 2/20 0.43
CACNA1C Q13936 2/20 0.43
MAPT P10636 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
HRH1 P35367 2/20 0.43
ESR1 P03372 1/20 0.43
CHRM4 P08173 1/20 0.43
KCNE1 P15382 1/20 0.43
PTGS1 P23219 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43

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
SCHEMBL6229251 0.88 CACNA2D1 (0.43) LMNACACNA1CMAPTSLC6A4TP53
SCHEMBL50970 0.84 TRPA1 (0.57) CHRM1LMNAADRA1ACACNA1CMAPT
SCHEMBL29209449 0.84 CHRM1 (0.41) CHRM1LMNAADRA1ACACNA1CMAPT
SCHEMBL11410686 0.84 CACNA2D1 (0.43) LMNACACNA1CMAPTSLC6A4TP53
SCHEMBL28225303 0.82 KMT2A (0.46) CHRM1LMNAADRA1ACACNA1CMAPT
SCHEMBL30327005 0.82 MAPT (0.41) CHRM1LMNAADRA1ACACNA1CMAPT
SCHEMBL51095 0.81 CHRM1 (0.55) CHRM1LMNAADRA1ACACNA1CMAPT
SCHEMBL8979244 0.81 TRPA1 (0.57) CHRM1LMNAADRA1ACACNA1CMAPT
SCHEMBL6225152 0.81 CACNA2D1 (0.41) LMNACACNA1CMAPTTP53TDP1
SCHEMBL19813862 0.81 GABRA1 (0.50) CHRM1LMNAADRA1ACACNA1CMAPT

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-109796476-A Magnesiumaryloxy compounds, preparation method and ring-opening polymerization catalyst and application 吉林农业大学 2019-05-24 CN disclosed