SCHEMBL28430563

SCHEMBL28430563

CCCC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 3/20 0.42
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL4441293 0.84 MAPT (0.53) MAPTKMT2ACYP2C19HIF1ASMN1; SMN2
SCHEMBL270134 0.83 MAPT (0.57) MAPTKMT2ACYP2C19HIF1ACES2
SCHEMBL15961776 0.81 HDAC3 (0.41) KMT2ASMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL29008162 0.80 L3MBTL1 (0.53) MAPTKMT2ACYP2C19HIF1ACES2
SCHEMBL28602564 0.79 MAPT (0.57) MAPTKMT2ACYP2C19HIF1AOPRM1
SCHEMBL4447460 0.79 KMT2A (0.57) MAPTKMT2ACYP2C19HIF1AL3MBTL1
SCHEMBL6610803 0.78 MAPT (0.55) MAPTKMT2ACYP2C19HIF1ASMN1; SMN2
SCHEMBL25848127 0.78 MAPT (0.61) MAPTKMT2ACYP2C19HIF1AOPRM1
SCHEMBL5331416 0.78 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AOPRM1
SCHEMBL28342544 0.77 KMT2A (0.46) MAPTKMT2ACYP2C19HIF1ACES2

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-111492508-A Electrode, method for producing same, electrode element, and nonaqueous electrolyte storage element 株式会社理光 2020-08-04 CN disclosed