SCHEMBL6462016

SCHEMBL6462016

C=C(C)C(=O)OCC[N+](C)(C)C.CCOP(=O)([O-])O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
CHRM5 P08912 5/20 0.45
CHRM1 P11229 5/20 0.45
CHRM3 P20309 5/20 0.45
CHRM2 P08172 4/20 0.42
CHRM4 P08173 4/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 2/20 0.42
PGR P06401 1/20 0.42
TBXA2R P21731 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
GALR3 O60755 2/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL3457975 0.90 THRB (0.46) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL258945 0.88 THRB (0.47) THRBCHRM5CHRM1CHRM3CHRM2
Phosphoric Acid SCHEMBL9619842 0.88 CHRM5 (0.53) THRBCHRM5CHRM1CHRM3CHRM2
Triethyl Phosphate SCHEMBL7896685 0.87 CHRM5 (0.49) THRBCHRM5CHRM1CHRM3CHRM2
Phosphoric Acid SCHEMBL7192564 0.86 CHRM5 (0.55) THRBCHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL1949342 0.85 TSHR (0.51) THRBSMN1; SMN2MAPTTSHRADRA1A
Phosphoric Acid SCHEMBL386469 0.85 CHRM5 (0.57) THRBCHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL14738989 0.84 GALR3 (0.41) THRBCHRM5CHRM1CHRM3CHRM2
Phosphocholine SCHEMBL12979922 0.83 SMN1; SMN2 (0.45) THRBCHRM5CHRM1CHRM3CHRM2
SCHEMBL24982077 0.82 THRB (0.40) THRBCHRM5CHRM1CHRM3CHRM2

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-6924338-B1 Comprising an addition copolymer with one monomer having zwitterionic pendant group, ammonium phosphate inner salt , and a hydrophobic addition homopolymer; biocompatiable, forming micro-phase segregated structure, biomedical application BIOCOMPATIBLES UK LIMITED (GB) 2005-08-02 US disclosed
US-6186974-B1 Device for use in the eye UNIVERSITY COLLEGE LONDON AND MOORFIELDS EYE HOSPITAL NHS TRUST (GB) 2001-02-13 US disclosed
EP-0977531-A1 DEVICE FOR USE IN THE EYE Moorfields Eye Hospital (GB) 2000-02-09 EP disclosed
WO-1998030181-A1 DEVICE FOR USE IN THE EYE UNIVERSITY COLLEGE LONDON (GB) 1998-07-16 WO disclosed