SCHEMBL8457807

SCHEMBL8457807

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.43
▸ ADRA1A P35348 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CDC25A P30304 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ADRA2A P08913 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ BTN3A1 O00481 1/20 0.35
▸ P2RY10 O00398 4/20 0.34
▸ GPR34 Q9UPC5 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ BBOX1 O75936 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 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
SCHEMBL1138195 0.87 BTN3A1 (0.39) BTN3A1P2RY10GPR34
SCHEMBL17833014 0.78 LMNA (0.58) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL13619237 0.78 LMNA (0.58) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL14080851 0.78 FABP3 (0.50) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL25857265 0.78 SMN1; SMN2 (0.46) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL472232 0.78 BTN3A1 (0.54) BTN3A1
Methacrylic Acid SCHEMBL28838877 0.77 FABP3 (0.41) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL270866 0.77 LPAR3 (0.44) BTN3A1
SCHEMBL28240661 0.77 LMNA (0.47) FABP3ADRA1ALMNAESR1ADORA3
SCHEMBL1139628 0.76 CYP3A4 (0.42) BTN3A1P2RY10GPR34

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
EP-0891998-A1 Graft polymers BIOCOMPATIBLES LIMITED (GB) 1999-01-20 — — EP disclosed
US-5453467-A Polymers grafted with quaternary ammonium phosphate acrylates1 BIOCOMPATIBLES LIMITED (GB) 1995-09-26 — — US disclosed
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