SCHEMBL9016141

SCHEMBL9016141

C=CC(=O)OC(C)OCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
CHRNA4 P43681 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRNB2 P17787 1/20 0.36
HPGD P15428 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HIF1A Q16665 3/20 0.34
CYP1A2 P05177 2/20 0.34
ADRA2A P08913 2/20 0.34
CYP2D6 P10635 2/20 0.34
ADRA2B P18089 2/20 0.34
HTR2C P28335 2/20 0.34
ADRA1A P35348 2/20 0.34
HRH1 P35367 2/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL5134309 0.86 CHRM2 (0.38) TSHRCHRNA4CHRM2CHRM4CHRM5
SCHEMBL3902375 0.85 TSHR (0.47) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL17213620 0.82 TSHR (0.47) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL1356945 0.80 TSHR (0.42) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL224827 0.80 TSHR (0.50) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL238288 0.80 TSHR (0.46) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL28946473 0.79 TSHR (0.41) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL27289 0.79 TSHR (0.41) TSHRHPGDALDH1A1HIF1ATP53
SCHEMBL28886132 0.79 TSHR (0.46) TSHRHPGDALDH1A1KDM4EHIF1A
SCHEMBL8369466 0.78 TSHR (0.46) TSHRCHRNA4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440444-B1 Photosensitive resin composition NIPPON PAINT CO LTD (JP) 1996-12-27 EP disclosed
EP-0438255-B1 Process for preparing crosslinked resin particles NIPPON PAINT CO LTD (JP) 1995-11-15 EP disclosed
US-5204221-A Crosslinked vinyl polymer and unsaturated monomer; for flexographic printing, printed circuits; storage stability and water developability NIPPON PAINT CO., LTD. (JP) 1993-04-20 US disclosed
US-5198500-A PROCESS FOR PREPARING CROSSLINKED RESIN PARTICLES NIPPON PAINT CO., LTD. (JP) 1993-03-30 US disclosed
EP-0440444-A2 Photosensitive resin composition NIPPON PAINT CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0438255-A2 Process for preparing crosslinked resin particles NIPPON PAINT CO., LTD. (JP) 1991-07-24 EP disclosed