SCHEMBL22666437

SCHEMBL22666437

CCCCCCC(C)(C)n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.49
▸ CYP2C19 P33261 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TK2 O00142 4/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL22946795 0.88 TK1 (0.49) TK1CYP2C19CYP1A2GAAMEN1
SCHEMBL22020875 0.88 MAPK1 (0.41) TK1ALDH1A1MAPK1TK2HPGD
SCHEMBL25799801 0.87 TK1 (0.48) TK1CYP2C19CYP1A2GAAMEN1
SCHEMBL22946803 0.87 TK1 (0.47) TK1CYP2C19CYP1A2GAAMEN1
SCHEMBL22020961 0.86 TK1 (0.47) TK1CYP2C19CYP1A2GAAMEN1
SCHEMBL22380811 0.86 TK1 (0.47) TK1CYP2C19CYP1A2GAAMEN1
SCHEMBL22260568 0.79 TK1 (0.43) TK1CYP2C19CYP1A2GAAMAPK1
SCHEMBL26793575 0.78 MAPK1 (0.41) TK1ALDH1A1MAPK1TK2HPGD
SCHEMBL22198654 0.76 TK1 (0.39) TK1ALDH1A1MAPK1TK2HPGD
SCHEMBL21090689 0.76 TK1 (0.39) TK1ALDH1A1MAPK1TK2HPGD

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-20200362337-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2020-11-19 — — US disclosed
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