SCHEMBL1401412

SCHEMBL1401412

CC(=O)OCCOCCO.CC(C)(C)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 5/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.39
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36

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
SCHEMBL1401682 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL3345542 0.88 ALDH1A1 (0.43) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL19077690 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL11512439 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
Tetraethylene Glycol SCHEMBL7551970 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
Di(Hydroxyethyl)Ether SCHEMBL4528966 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL10348237 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL310500 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL14097232 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL994878 0.88 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AMAPK1

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
EP-2292707-B1 INK COMPOSITION FOR FORMING AN INSULATING FILM AND AN INSULATING FILM FORMED FROM SAID INK COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2017-03-08 EP disclosed
US-8791173-B2 Ink composition for forming insulating film and insulating film formed from the ink composition DIC CORPORATION (JP) 2014-07-29 US disclosed
US-20110086946-A1 INK COMPOSITION FOR FORMING INSULATING FILM AND INSULATING FILM FORMED FROM THE INK COMPOSITION DIC CORPORATION (JP) 2011-04-14 US disclosed
EP-2292707-A1 INK COMPOSITION FOR FORMING AN INSULATING FILM AND AN INSULATING FILM FORMED FROM SAID INK COMPOSITION DIC Corporation (JP) 2011-03-09 EP disclosed