SCHEMBL28062035

SCHEMBL28062035

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CHRM5 P08912 6/20 0.37
CHRM1 P11229 6/20 0.37
CHRM3 P20309 6/20 0.37
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA7 P36544 3/20 0.37
HTR1A P08908 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
GALR3 O60755 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA1A P35348 2/20 0.33

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
SCHEMBL27761015 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
SCHEMBL28853369 0.78 SMN1; SMN2 (0.34) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
SCHEMBL28039652 0.75 CHRM5 (0.45) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL27766488 0.74 CHRM5 (0.41) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
SCHEMBL28303579 0.73 FABP3 (0.39) SMN1; SMN2ADRA1AADRA1DPTAFRHTR1D
Phosphocholine SCHEMBL2456733 0.73 CHRM5 (0.40) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
SCHEMBL19717894 0.73 CHRM5 (0.43) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
SCHEMBL11909907 0.73 FOLH1 (0.33)
Phosphocholine SCHEMBL28014826 0.72 SMN1; SMN2 (0.52) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL1802772 0.72 CHRM5 (0.42) SMN1; SMN2CHRM5CHRM1CHRM3CHRM2

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-105611951-A Antioxidative prosthetic member KYOCERA MEDICAL CORP 2016-05-25 CN disclosed
CN-101028538-B Medical devices containing rapamycin analogs ABBOTT LAB 2015-06-17 CN disclosed