SCHEMBL12909214

SCHEMBL12909214

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 3/20 0.39
▸ KIF11 P52732 5/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 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
SCHEMBL17058683 0.82 CYP2C19 (0.48) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL28066398 0.79 CYP2C19 (0.46) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL16075933 0.77 CYP2C19 (0.47) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL6758034 0.76 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL1492728 0.76 CYP2C19 (0.50) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL23453194 0.75 TAAR1 (0.54) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL1450491 0.75 TAAR1 (0.54) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL22341285 0.75 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL22341259 0.75 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2ACYP1A2
SCHEMBL4175632 0.75 HIF1A (0.48) CYP2C19HIF1AMAPTKMT2ACYP1A2

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
US-7875393-B2 includes lithium salt, organic solvent containing first solvent having high dielectric constant, second solvent having a low boiling point, and surfactant including hydrophobic portion having aromatic group; solution suppresses side reactions during repeated charge/discharge cycles, improving reliability SAMSUNG SDI CO., LTD. (KR) 2011-01-25 — — US disclosed
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