SCHEMBL28056050

SCHEMBL28056050

C=CC(=O)NCCC[Si](OCC)(OCC)OCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TGM2 P21980 3/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 8/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
EGFR P00533 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 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
SCHEMBL5913019 0.95 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL1659840 0.92 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL5913010 0.88 ZDHHC20 (0.60) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL29043132 0.88 ZDHHC20 (0.59) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL7538231 0.85 ZDHHC20 (0.71) ZDHHC20ZDHHC2TGM2EGFRHTR1A
SCHEMBL28056045 0.85 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL5357916 0.82 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL29573387 0.82 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Acrylic Acid SCHEMBL7745606 0.82 ZDHHC2 (0.65) ZDHHC20ZDHHC2TGM2EGFRHTR1A
SCHEMBL3149796 0.80 ACHE (0.36) TSHRACHECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408429-A Method for coating electrically conductive substrates with immersion paint while post-treating the immersion paint coating with an aqueous sol-gel composition prior to curing the coating BASF COATINGS GMBH 2016-03-16 CN disclosed