SCHEMBL17076331

SCHEMBL17076331

C=CC(=O)OC(CC)C[PH](=O)OCC[N+](C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30

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
SCHEMBL17076294 0.83 TSHR (0.33) TSHRADRA2AADRA1APGRCHRM2
SCHEMBL17076360 0.81 CHRM5 (0.33) ADRA2AADRA1APGRCHRM2CHRM4
SCHEMBL28359369 0.78 ADRA2A (0.35) HPGDTSHRADRA2AADRA1APGR
SCHEMBL3504552 0.74 ADRA2A (0.37) HPGDTSHRADRA2AADRA1APGR
SCHEMBL1260410 0.73 TSHR (0.46) HPGDTSHRADRA2AADRA1APGR
SCHEMBL561301 0.72 TSHR (0.45) HPGDTSHRSMN1; SMN2
Bromide SCHEMBL29102419 0.71 MEN1 (0.40) HPGDTSHRCHRM2CHRM4CHRM5
Iodide SCHEMBL29102413 0.71 MEN1 (0.40) HPGDTSHRCHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL29102422 0.71 LMNA (0.42) HPGDTSHRCHRM2CHRM4CHRM5
Acrylamide SCHEMBL29019009 0.71 CHRM5 (0.42) TSHRADRA2AADRA1APGRCHRM2

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
US-9434858-B2 Hydrophilic coating agent OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-09-06 US disclosed
US-20150259570-A1 HYDROPHILIC COATING AGENT OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-09-17 US disclosed