SCHEMBL16804264

SCHEMBL16804264

CCO[Si](CCCNC(=O)/C=C/C(C)=O)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ZDHHC20 Q5W0Z9 3/20 0.38
ZDHHC2 Q9UIJ5 3/20 0.38
EGFR P00533 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL727017 0.87 ALDH1A1 (0.54) ALDH1A1ZDHHC20ZDHHC2EGFRTAAR1
SCHEMBL727018 0.87 ALDH1A1 (0.54) ALDH1A1ZDHHC20ZDHHC2EGFRTAAR1
SCHEMBL23289096 0.87 ALDH1A1 (0.54) ALDH1A1ZDHHC20ZDHHC2EGFRTAAR1
SCHEMBL26430747 0.86 ZDHHC20 (0.40) ALDH1A1ZDHHC20ZDHHC2EGFRHDAC3
SCHEMBL1081176 0.85 APEX1 (0.39) ALDH1A1ZDHHC20ZDHHC2EGFRTAAR1
SCHEMBL27030736 0.83 ALDH1A1 (0.39) ALDH1A1ZDHHC20ZDHHC2EGFRTAAR1
SCHEMBL16422431 0.81 ZDHHC20 (0.37) ALDH1A1ZDHHC20ZDHHC2MAPTKMT2A
SCHEMBL13789526 0.81 ZDHHC20 (0.37) ALDH1A1ZDHHC20ZDHHC2MAPTKMT2A
SCHEMBL18735932 0.81 ALDH1A1 (0.35) ALDH1A1ZDHHC20ZDHHC2EGFRHTR1A
SCHEMBL1659840 0.80 ZDHHC20 (0.56) ALDH1A1ZDHHC20ZDHHC2MAPTKMT2A

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-9329479-B2 Lithographic printing plate precusor AGFA GRAPHICS NV (BE) 2016-05-03 US disclosed
US-20150168837-A1 LITHOGRAPHIC PRINTING PLATE PRECUSOR ECO3 BV (BE) 2015-06-18 US disclosed