SCHEMBL28455276

SCHEMBL28455276

[NaH].c1ccc(C2CO2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.94
CHRM2 P08172 5/20 0.53
CHRM3 P20309 4/20 0.53
ADRA2A P08913 3/20 0.53
CHRM4 P08173 3/20 0.53
CHRM1 P11229 3/20 0.53
ADRA1A P35348 2/20 0.46
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP1 P09874 1/20 0.44
HTR1A P08908 2/20 0.44
ADRA1D P25100 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRM5 P08912 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL987488 0.97
SCHEMBL1943997 0.97
SCHEMBL21026 0.97
SCHEMBL28467238 0.97 TSHR (1.00) TSHRCHRM2CHRM3ADRA2ACHRM4
SCHEMBL4282078 0.94 TSHR (0.94) TSHRCHRM2CHRM3ADRA2ACHRM4
SCHEMBL29664684 0.94 TSHR (0.94) TSHRCHRM2CHRM3ADRA2ACHRM4
Water SCHEMBL4779098 0.94 TSHR (0.94) TSHRCHRM2CHRM3ADRA2ACHRM4
SCHEMBL20981569 0.94 TSHR (0.94) TSHRCHRM2CHRM3ADRA2ACHRM4
Hydrogen Peroxide SCHEMBL28927927 0.94 TSHR (0.94) TSHRCHRM2CHRM3ADRA2ACHRM4
SCHEMBL28948088 0.94 TSHR (0.94) TSHRCHRM2CHRM3ADRA2ACHRM4

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-112219849-A Weeding composition and preparation and application thereof 江苏明德立达作物科技有限公司 2021-01-15 CN disclosed
CN-111513069-A Pesticide composition for preventing and treating red pine cone pests and application thereof 江西啄木蜂科技有限公司 2020-08-11 CN disclosed