SCHEMBL29079457

SCHEMBL29079457

CCCC(=O)OCc1ccccc1.CN(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 2/20 0.60
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.47
NOX1 Q9Y5S8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL11098565 0.89 ALDH1A1 (0.55) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL19960 0.89 ALDH1A1 (0.63) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL1870004 0.89 ALDH1A1 (0.63) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8453852 0.88 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL29079447 0.88 ALDH1A1 (0.63) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL28151480 0.87 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL7758351 0.87 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1009941 0.87 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL20351186 0.84 ALDH1A1 (0.58) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Propionic Acid SCHEMBL28793877 0.84 ALDH1A1 (0.58) ALDH1A1HPGDMAPTMAPK1L3MBTL1

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