SCHEMBL28853369

SCHEMBL28853369

C=C(C)C(=O)OC(C)CP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
CHRM1 P11229 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
TBXA2R P21731 2/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
ADRA1D P25100 1/20 0.34
PTAFR P25105 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL28079992 0.85 ADRA1D (0.34) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2
SCHEMBL28853370 0.82 FABP3 (0.45) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2
SCHEMBL980295 0.81 PPARD (0.38) TSHR
SCHEMBL28126982 0.81 SMN1; SMN2 (0.34) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2
SCHEMBL1225864 0.78 SMN1; SMN2 (0.53) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL28062035 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2
Phosphoric Acid SCHEMBL28543880 0.78 CHRM1 (0.37) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2
SCHEMBL17595251 0.78 FABP3 (0.38) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2
SCHEMBL27625944 0.77 TSHR (0.39) TSHR
SCHEMBL19717894 0.75 CHRM5 (0.43) SMN1; SMN2CHRM1CHRM5CHRM3CHRM2

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-107597079-A One kind is based on the organic polymer integral material of amphion crosslinking agent and preparation and application 暨南大学 2018-01-19 CN disclosed
CN-104812857-B Hydrophilic coating agent 大阪有机化学工业株式会社 2017-12-05 CN disclosed