SCHEMBL28036721

SCHEMBL28036721

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL27467602 0.84 CHRM2 (0.39) CHRM2CHRM1CHRM3ESR1ESR2
SCHEMBL27941950 0.80 CHRM2 (0.37) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL22207367 0.80 CHRM2 (0.37) CHRM2CHRM1CHRM3
SCHEMBL149959 0.79 TSHR (0.52) CHRM2CHRM1CHRM3ESR1ESR2
SCHEMBL27849256 0.79 CHRM2 (0.40) CHRM2CHRM1CHRM3ESR1ESR2
SCHEMBL340908 0.79 CHRM1 (0.52) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL28361240 0.78 CHRM2 (0.35) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL10340378 0.78 CHRM1 (0.47) CHRM2CHRM1CHRM3ESR1ESR2
SCHEMBL418569 0.77 THRB (0.41) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL2340826 0.77 THRB (0.41) CHRM2CHRM1CHRM3CHRNB2CHRNA4

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-105051616-A Toner ZEON CORP 2015-11-11 CN disclosed