SCHEMBL28053308

SCHEMBL28053308

C=C(C)C(N)=O.CCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
HTR1A P08908 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
PGR P06401 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37

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
Methacrylic Acid SCHEMBL28838877 0.89 FABP3 (0.41) FABP3CHRM5CHRM1CHRM3CHRM2
SCHEMBL192297 0.85 FABP3 (0.45) FABP3CHRM5CHRM1CHRM3CHRM2
Acrylamide SCHEMBL27991709 0.85 FABP3 (0.40) FABP3CHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL19386099 0.84 CHRM5 (0.44) CHRM5CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL17143223 0.84 FABP3 (0.44) FABP3CHRM5CHRM1CHRM3CHRM2
Water SCHEMBL28123709 0.84 FABP3 (0.44) FABP3CHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL19386100 0.81 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
Water SCHEMBL28109847 0.80 TSHR (0.49) FABP3CHRM5CHRM1CHRM3LMNA
SCHEMBL1146679 0.78 BTN3A1 (0.44) FABP3CHRM5CHRM1CHRM3CHRM2
SCHEMBL25857265 0.78 SMN1; SMN2 (0.46) FABP3CHRM5CHRM1CHRM3CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105670022-B A kind of preparation method of Phosphorylcholine bionic coating 西安科技大学 2018-05-04 CN disclosed
CN-105237778-B It is a kind of to improve the method for chitosan blood compatibility at room temperature 西安科技大学 2017-10-13 CN disclosed
CN-105237778-A Method for improving chitosan blood compatibility under room temperature UNIV XI AN SCI & TECHNOLOGY 2016-01-13 CN disclosed