SCHEMBL29079458

SCHEMBL29079458

CN(C)c1ccccc1.O=C(O)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.86
MAPT P10636 6/20 0.86
HPGD P15428 3/20 0.86
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 2/20 0.65
NPC1 O15118 2/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A3 Q01959 1/20 0.63
LMNA P02545 3/20 0.62
RAB9A P51151 3/20 0.60
MEN1 O00255 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
Benzyl Benzoate SCHEMBL29079453 0.92 ALDH1A1 (0.88) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL4339340 0.92 ALDH1A1 (1.00) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL419555 0.87 KMT2A (0.81) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL29079463 0.87 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL29017512 0.86 ALDH1A1 (0.88) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL10916778 0.86 KMT2A (0.79) ALDH1A1MAPTHPGDSMN1; SMN2GAA
Benzyl Benzoate SCHEMBL8359694 0.84 KMT2A (0.89) ALDH1A1MAPTHPGDSMN1; SMN2GAA
Paraben SCHEMBL30633385 0.83 LMNA (0.90) ALDH1A1MAPTHPGDSMN1; SMN2GAA
Paraben SCHEMBL28265402 0.83 LMNA (0.90) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL6274205 0.82 KMT2A (0.79) ALDH1A1MAPTHPGDSMN1; SMN2GAA

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-116804825-A Composition for forming silicon-containing metal hard mask and pattern forming method 信越化学工业株式会社 2023-09-26 CN disclosed