SCHEMBL28022252

SCHEMBL28022252

COC(CC(=O)CC(OC)(OC)c1ccccc1)(OC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.52
CES1 P23141 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL3363877 0.88 CYP2C19 (0.57) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL28285077 0.86 KCNN4 (0.50) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL27701981 0.85 KCNN4 (0.53) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL28427398 0.84 CPA1 (0.41) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL13931399 0.77 KCNN4 (0.48) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL6557133 0.77 CES1 (0.44) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL670714 0.77 KCNN4 (0.47) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL1051513 0.76 CYP2C19 (0.57) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL15899494 0.76 KCNN4 (0.47) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL27651289 0.74 KCNN4 (0.46) KCNN4CES1CYP2C19HIF1AMAPT

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