SCHEMBL15327604

SCHEMBL15327604

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 5/20 0.42
ALDH1A1 P00352 2/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CYP2C9 P11712 1/20 0.32
OR51E2 Q9H255 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL27973167 0.82 POLB (0.33) TSHRLMNAALDH1A1APEX1
SCHEMBL434755 0.79 TSHR (0.43) TSHRLMNAALDH1A1APEX1CPT2
Hydrochloric Acid SCHEMBL2399402 0.77 TSHR (0.42) TSHRLMNAALDH1A1APEX1CPT2
Glycinebetaine SCHEMBL2016478 0.76 TSHR (0.46) TSHRLMNAALDH1A1APEX1TDP1
SCHEMBL1898329 0.76 TSHR (0.52) TSHRLMNAALDH1A1APEX1MAPT
SCHEMBL975794 0.75 CHRM5 (0.41) TSHRLMNAALDH1A1TDP1CHRM2
Acrylamide SCHEMBL17457007 0.75 TSHR (0.41) TSHRLMNAALDH1A1APEX1BBOX1
SCHEMBL8742965 0.74 TSHR (0.43) TSHRLMNAALDH1A1APEX1
Glycinebetaine SCHEMBL20495956 0.74 TSHR (0.43) TSHRLMNAALDH1A1APEX1CHRM2
Bromide SCHEMBL22034719 0.74 TSHR (0.50) TSHRLMNAALDH1A1APEX1MAPT

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
EP-2329519-B1 ABRASIVE COMPOSITIONS FOR CHEMICAL MECHANICAL POLISHING AND METHODS FOR USING SAME RHODIA OPERATIONS (FR) 2013-10-23 EP claimed