SCHEMBL28044958

SCHEMBL28044958

CC(O)OC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
KCNN4 O15554 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39

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
SCHEMBL6898376 0.87 MAPT (0.52) MAPTKMT2AKCNN4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28209912 0.85 KMT2A (0.50) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL6894286 0.84 MAPT (0.48) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL17011233 0.84 MAPT (0.48) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL6895220 0.84 MAPT (0.48) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL31087994 0.81 MAPT (0.56) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL18856285 0.81 NPSR1 (0.47) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL11625075 0.80 KMT2A (0.44) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL18388288 0.78 MAPT (0.43) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL18856348 0.78 MAPT (0.53) MAPTKMT2AKCNN4CYP1A2CYP2D6

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-105177069-A Method for cell production of (S)-hydroxyethyl methyl phenylpropionate UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-23 CN disclosed