SCHEMBL15745533

SCHEMBL15745533

CC(=O)OCCOP(=O)(O)OCC[n+]1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.33
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
BACE1 P56817 1/20 0.31
KMT2A Q03164 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

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
SCHEMBL9543168 0.82 ALDH1A1 (0.42) ALDH1A1TSHRBCHEACHEKMT2A
SCHEMBL14849967 0.81 KMT2A (0.32) KMT2A
Hydrochloric Acid SCHEMBL11428687 0.80 ALDH1A1 (0.44) ALDH1A1BCHEACHEKMT2ACHRM5
Bromide SCHEMBL9463871 0.80 ACHE (0.41) ALDH1A1TSHRBCHEACHEKMT2A
Acetic Acid SCHEMBL7920284 0.77 ALDH1A1 (0.39) ALDH1A1TSHRBCHEACHEPGR
SCHEMBL14447811 0.76 CHRM2 (0.51) TSHRACHEKMT2APGRCHRM2
SCHEMBL14447813 0.76 CHRM2 (0.51) TSHRACHEKMT2APGRCHRM2
SCHEMBL9384218 0.75 BCHE (0.39) BCHEACHE
SCHEMBL5281875 0.74 BCHE (0.50) BCHEACHE
SCHEMBL7074344 0.72 BCHE (0.54) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9188868-B2 Lithographic printing plate precursors and processes for preparing lithographic printing plates FUJIFILM CORPORATION (JP) 2015-11-17 US disclosed
US-8895224-B2 Lithographic printing plate precursors and processes for preparing lithographic printing plates FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-20140147789-A1 LITHOGRAPHIC PRINTING PLATE PRECURSORS AND PROCESSES FOR PREPARING LITHOGRAPHIC PRINTING PLATES FUJIFILM CORPORATION (JP) 2014-05-29 US disclosed