SCHEMBL28811576

SCHEMBL28811576

CCCCCCCCCCCCCCCCCCOC(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.56
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TK2 O00142 4/20 0.46
ALDH1A1 P00352 2/20 0.44
NAAA Q02083 1/20 0.44
TYMP P19971 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3519506 0.89 KMT2A (0.56) TK1KMT2AALDH1A1TYMPLMNA
SCHEMBL10457860 0.79 TK1 (0.59) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL10456668 0.79 TK1 (0.59) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL10456667 0.79 TK1 (0.59) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL10456666 0.79 TK1 (0.59) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL10474582 0.77 KMT2A (0.49) TK1KMT2ATK2TYMP
SCHEMBL6883307 0.77 TK1 (0.65) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL17013801 0.76 TK1 (0.61) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL13261412 0.75 TK1 (0.62) TK1KMT2ACYP1A2CYP2C19GAA
SCHEMBL21522987 0.74 HPGD (0.62) TK1KMT2ATK2

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-114869859-A Nucleic acid nanoparticle compound and preparation method thereof 深圳厚存纳米药业有限公司 2022-08-09 CN disclosed