SCHEMBL808458

SCHEMBL808458

C[N+](C)(C)CCOCCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.54
CHRM3 P20309 8/20 0.54
CHRM2 P08172 7/20 0.54
CHRM4 P08173 7/20 0.54
CHRM5 P08912 6/20 0.54
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
CHRNA7 P36544 3/20 0.54
HTR1A P08908 2/20 0.54
CYP2C19 P33261 2/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
PGR P06401 1/20 0.45
TBXA2R P21731 1/20 0.45
CHRNB4 P30926 1/20 0.45

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
SCHEMBL2449256 0.81 ALDH1A1 (0.37) CYP2C19LMNATSHRBLMGAA
SCHEMBL25501824 0.80 ADRA2A (0.52) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2269120 0.80 ACHE (0.54) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2804607 0.80 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL23080917 0.78 ADRA2A (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL1759062 0.78 CHRM5 (0.57) CHRM1CHRM3CHRM2CHRM4CHRM5
Ammonia Solution, Strong SCHEMBL28330597 0.78 CHRM1 (0.54) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL23044723 0.78 MAPT (0.54) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL31627690 0.78 ADRA2A (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL1655260 0.78 TP53 (0.35) CYP2C19LMNATSHRBLMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897013-B2 Blends of glyoxalated polyacrylamides and paper strengthening agents GEORGIA-PACIFIC CHEMICALS LLC (US) 2011-03-01 US disclosed
US-7589153-B2 Glyoxalated inter-copolymers with high and adjustable charge density GEORGIA-PACIFIC CHEMICALS LLC (US) 2009-09-15 US disclosed
US-20090165978-A1 BLENDS OF GLYOXALATED POLYACRYLAMIDES AND PAPER STRENGTHENING AGENTS GEORGIA-PACIFIC CHEMICALS LLC (US) 2009-07-02 US disclosed
US-7488403-B2 Blends of glyoxalated polyacrylamides and paper strengthening agents ECOLAB USA INC. 2009-02-10 US disclosed