SCHEMBL8995976

SCHEMBL8995976

Cc1cccc(C)c1C(=O)OCC[N+](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.49
CHRM3 P20309 7/20 0.49
CHRM2 P08172 6/20 0.49
CHRM4 P08173 6/20 0.49
ACHE P22303 3/20 0.47
BCHE P06276 1/20 0.47
CHRM5 P08912 5/20 0.46
CHRNB2 P17787 3/20 0.46
CHRNA7 P36544 3/20 0.46
CHRNA4 P43681 3/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
PGR P06401 1/20 0.46
TBXA2R P21731 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46

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
SCHEMBL18127944 0.85 CA12 (0.53) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7735421 0.84 CA12 (0.59) CHRM1CHRM3CHRM2CHRM4ACHE
SCHEMBL4624137 0.81 ALDH1A1 (0.51) CHRM1CHRM3CHRM2CHRM4ACHE
SCHEMBL22423696 0.80 ALDH1A1 (0.58) CHRM1SMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL11338827 0.80 CHRM1 (0.50) CHRM1CHRM3CHRM2CHRM4ACHE
SCHEMBL6068040 0.79 TSHR (0.59) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL22407682 0.79 CA12 (0.47) CHRM1CHRM3CHRM2SMN1; SMN2CA12
SCHEMBL14883601 0.78 L3MBTL1 (0.43) CHRM1CHRM2CHRNA7CHRNB4CHRNA3
SCHEMBL16353079 0.78 CHRM1 (0.52) CHRM1CHRM3CHRM2CHRM4ACHE
Iodide SCHEMBL11769953 0.78 CYP2C19 (0.46) CHRM1CHRM3CHRM2CHRM4ACHE

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-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP disclosed
EP-0572986-A1 Assay for serum cholinesterase Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 EP disclosed