SCHEMBL14950221

SCHEMBL14950221

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
FABP3 P05413 1/20 0.41
BBOX1 O75936 2/20 0.38
SELP P16109 1/20 0.36
LPAR5 Q9H1C0 1/20 0.35
PLA2G2C Q5R387 1/20 0.34
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDC25A P30304 1/20 0.33
AGTR1 P30556 1/20 0.33
AKT1 P31749 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP2 O75604 1/20 0.33
P2RY10 O00398 8/20 0.33
GPR34 Q9UPC5 4/20 0.33
GPR174 Q9BXC1 3/20 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
SCHEMBL27168721 0.90 SMN1; SMN2 (0.69) SMN1; SMN2FABP3BBOX1SELPLPAR5
SCHEMBL101267 0.90 SMN1; SMN2 (0.69) SMN1; SMN2FABP3BBOX1SELPLPAR5
SCHEMBL8899300 0.90 SMN1; SMN2 (0.69) SMN1; SMN2FABP3BBOX1SELPLPAR5
SCHEMBL157824 0.90 SMN1; SMN2 (0.69) SMN1; SMN2FABP3BBOX1SELPLPAR5
SCHEMBL5019714 0.90 SMN1; SMN2 (0.69) SMN1; SMN2FABP3BBOX1SELPLPAR5
Glycerin SCHEMBL28844001 0.89 SMN1; SMN2 (0.68) SMN1; SMN2FABP3BBOX1SELPLPAR5
Glycerin SCHEMBL28844000 0.89 SMN1; SMN2 (0.68) SMN1; SMN2FABP3BBOX1SELPLPAR5
Choline SCHEMBL29922745 0.86 SMN1; SMN2 (0.64) SMN1; SMN2FABP3SELPLPAR5PLA2G2C
SCHEMBL14405672 0.84 SMN1; SMN2 (0.57) SMN1; SMN2BBOX1LPAR5LMNAESR1
SCHEMBL26556580 0.83 BBOX1 (0.52) SMN1; SMN2FABP3BBOX1LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130121969-A1 BIODEGRADABLE POLYURETHANE/UREA COMPOSITIONS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2013-05-16 US disclosed