SCHEMBL1896818

SCHEMBL1896818

C=C(C)C(=O)OCC[N+](C)(CCOC(=O)C(=C)C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 5/20 0.44
CHRM1 P11229 6/20 0.41
CHRM3 P20309 6/20 0.41
CHRM5 P08912 4/20 0.41
APEX1 P27695 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
CHRM4 P08173 5/20 0.38
CHRM2 P08172 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR1A P08908 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
PGR P06401 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38

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
SCHEMBL16271549 0.94 THRB (0.41) THRBTSHRCHRM1CHRM3CHRM5
SCHEMBL2277551 0.86 THRB (0.46) THRBTSHRCHRM1CHRM3CHRM5
Hydrochloric Acid SCHEMBL1904155 0.86 THRB (0.46) THRBTSHRCHRM1CHRM3CHRM5
SCHEMBL15830114 0.84 THRB (0.44) THRBTSHRCHRM1CHRM3CHRM5
Hydrochloric Acid SCHEMBL32674543 0.84 THRB (0.44) THRBTSHRCHRM1CHRM3CHRM5
SCHEMBL1898858 0.84 THRB (0.47) THRBTSHRCHRM1CHRM3CHRM5
SCHEMBL1597440 0.81 THRB (0.53) THRBTSHRCHRM1CHRM3CHRM5
Hydrochloric Acid SCHEMBL475669 0.81 THRB (0.53) THRBTSHRCHRM1CHRM3CHRM5
Betaine SCHEMBL6062726 0.81 APEX1 (0.48) THRBTSHRCHRM1CHRM3CHRM5
SCHEMBL344298 0.80 TSHR (0.55) THRBTSHRCHRM1CHRM3CHRM5

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
WO-2014095754-A1 FILTRATION SYSTEMS AND MEMBRANES WITH ENHANCED FLUX AND METHOD FOR THEIR PREPARATION BASF SE (DE) 2014-06-26 WO disclosed
WO-2014095753-A1 MEMBRANES WITH IMPROVED FLUX AND METHOD FOR THEIR PREPARATION BASF SE (DE) 2014-06-26 WO disclosed
EP-2496550-A2 CROSSLINKED ZWITTERIONIC HYDROGELS University Of Washington Through Its Center For Commercialization (US) 2012-09-12 EP disclosed
WO-2011057219-A2 CROSSLINKED ZWITTERIONIC HYDROGELS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2011-05-12 WO disclosed