SCHEMBL16638189

SCHEMBL16638189

C[N+](C)(C)CCOP(=O)(O)OCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
FABP3 P05413 1/20 0.42
LMNA P02545 3/20 0.41
ADRA1A P35348 2/20 0.41
ESR1 P03372 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC25A P30304 1/20 0.41
AGTR1 P30556 1/20 0.41
AKT1 P31749 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA7 P36544 3/20 0.39
BBOX1 O75936 2/20 0.39
HTR1A P08908 2/20 0.39

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
SCHEMBL25857265 0.91 SMN1; SMN2 (0.46) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL25058831 0.88 LMNA (0.46) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL13123029 0.88 SMN1; SMN2 (0.45) SMN1; SMN2FABP3LMNAADRA1AESR1
Methacrylic Acid SCHEMBL28639506 0.85 SMN1; SMN2 (0.42) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL13745842 0.85 FABP3 (0.43) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL19776359 0.85 LMNA (0.51) SMN1; SMN2FABP3LMNAADRA1AESR1
Water SCHEMBL8917727 0.83 LMNA (0.42) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL192297 0.83 FABP3 (0.45) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL1692413 0.83 LMNA (0.49) SMN1; SMN2FABP3LMNAADRA1AESR1
SCHEMBL13619237 0.83 LMNA (0.58) SMN1; SMN2FABP3LMNAADRA1AESR1

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
WO-2016187698-A1 ANTIFOULING POLYMERIC COATING COMPOSITIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-12-01 WO disclosed
US-9006305-B2 Biocompatible material VERTELLUS SPECIALTIES INC. (US) 2015-04-14 US disclosed