SCHEMBL28022253

SCHEMBL28022253

COC(CC=O)(OC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.42
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL28056673 0.81 KCNN4 (0.36) KCNN4ALDH1A1KMT2AMEN1MAPK1
SCHEMBL27360229 0.81 KCNN4 (0.40) KCNN4CES1ALDH1A1KMT2AGAA
SCHEMBL28605222 0.78 MAPK1 (0.39) KCNN4CES1ALDH1A1KMT2AKDM4E
SCHEMBL13006820 0.77 CES1 (0.37) KCNN4CES1ALDH1A1KMT2AGAA
SCHEMBL4292022 0.74 KCNN4 (0.38) KCNN4CES1ALDH1A1KMT2AKDM4E
SCHEMBL8072762 0.74 KCNN4 (0.43) KCNN4CES1ALDH1A1KMT2AGAA
SCHEMBL11409113 0.74 KCNN4 (0.43) KCNN4CES1ALDH1A1KMT2AGAA
SCHEMBL16144806 0.72 KCNN4 (0.42) KCNN4CES1ALDH1A1KMT2AGAA
SCHEMBL9340359 0.72 CYP2C19 (0.42) KCNN4ALDH1A1KMT2AMEN1MAPK1
SCHEMBL5643547 0.72 KCNN4 (0.42) KCNN4CES1ALDH1A1KMT2AGAA

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
CN-104884246-B coating for indium tin oxide layer 3M创新有限公司 2017-08-29 CN disclosed
CN-104884246-A Coatings for indium-tin oxide layers 3M INNOVATIVE PROPERTIES CO 2015-09-02 CN disclosed