SCHEMBL28853370

SCHEMBL28853370

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.36
ADRA1D P25100 1/20 0.36
PTAFR P25105 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CHRM1 P11229 3/20 0.35
TSHR P16473 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
TBXA2R P21731 2/20 0.35
MAPT P10636 2/20 0.34
GALR3 O60755 2/20 0.34
BLM P54132 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 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
SCHEMBL1468007 0.87 TSHR (0.44) SMN1; SMN2CHRM1TSHRCHRM2CHRM4
Ammonia Solution, Strong SCHEMBL18140161 0.85 TSHR (0.43) SMN1; SMN2CHRM1TSHRCHRM2CHRM4
SCHEMBL1225864 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
Choline SCHEMBL28805017 0.84 FABP3 (0.47) FABP3ADRA1DPTAFRHTR1DHTR2C
SCHEMBL28853369 0.82 SMN1; SMN2 (0.34) FABP3SMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL17595251 0.82 FABP3 (0.38) FABP3SMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL27898158 0.81 TSHR (0.40) TSHR
SCHEMBL968958 0.81 FABP3 (0.45) FABP3SMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL898995 0.81 TSHR (0.42) SMN1; SMN2CHRM1TSHRCHRM2CHRM4
SCHEMBL28854386 0.80 TSHR (0.41) CHRM1TSHRCHRM2CHRM4TBXA2R

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