SCHEMBL29263179

SCHEMBL29263179

C=C(C)C(=O)OCCN(C)C.C=CC(=C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRM3 P20309 1/20 0.46
CHRNA4 P43681 1/20 0.46
TSHR P16473 4/20 0.44
DNM1 Q05193 1/20 0.38
BCHE P06276 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
POLB P06746 1/20 0.35

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
Acrylic Acid SCHEMBL1942618 0.91 THRB (0.44) THRBCHRM2CHRM4CHRM5CHRM1
Butadiene SCHEMBL29263181 0.91 THRB (0.47) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL14984 0.91 CHRM2 (0.54) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL28671752 0.91 CHRM2 (0.54) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL1538397 0.90 TSHR (0.44) THRBCHRM2CHRM4CHRM5CHRM1
Acrylamide SCHEMBL317113 0.90 THRB (0.43) THRBCHRM2CHRM4CHRM5CHRM1
SCHEMBL28538336 0.89 THRB (0.50) THRBCHRM2CHRM4CHRM5CHRM1
Ammonia Solution, Strong SCHEMBL8139148 0.89 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
Bromide SCHEMBL1255341 0.89 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1
Methyl Alcohol SCHEMBL21326731 0.89 CHRM2 (0.52) THRBCHRM2CHRM4CHRM5CHRM1

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-118317830-A Method for producing metal-containing spherical porous carbon particles 柏林工业大学 2024-07-09 CN disclosed