SCHEMBL28990191

SCHEMBL28990191

CCO[Si](OC)(OC)OC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 1/20 0.33
KCNN4 O15554 2/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL28327111 0.81 TAAR1 (0.41) MAPK1ALDH1A1ALOX15TAAR1
SCHEMBL28518052 0.79 MAPK1 (0.47) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL27943115 0.77 MAPK1 (0.45) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL28994816 0.76 KCNN4 (0.33) KCNN4
SCHEMBL21679651 0.74 KIF11 (0.38) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL15401877 0.72 MAPK1 (0.44) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL29222960 0.71 LTA4H (0.39) MAPK1ALDH1A1
SCHEMBL9716560 0.70 MAPK1 (0.43) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL8978852 0.69 MAPK1 (0.48) MAPK1ALDH1A1ALOX15TAAR1KCNN4
SCHEMBL30338391 0.69 TSHR (0.41) MAPK1ALDH1A1

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-116914244-A High concentration lithium ion electrolyte for battery cells 苹果公司 2023-10-20 CN disclosed
CN-113851719-B Multifunctional organic silicon electrolyte suitable for ternary positive electrode material-based lithium ion battery, and preparation and application thereof 南京航空航天大学 2023-04-25 CN disclosed