SCHEMBL29079447

SCHEMBL29079447

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
HPGD P15428 3/20 0.63
MAPT P10636 3/20 0.63
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NOX1 Q9Y5S8 1/20 0.48
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CNR2 P34972 1/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 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
SCHEMBL10174999 0.88 ALDH1A1 (0.58) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL1871761 0.88 ALDH1A1 (0.68) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL111605 0.88 ALDH1A1 (0.68) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL29079457 0.88 ALDH1A1 (0.60) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27438937 0.86 ALDH1A1 (0.66) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL27168266 0.86 ALDH1A1 (0.66) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL3117410 0.86 ALDH1A1 (0.66) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL29264744 0.86 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL29079456 0.86 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL12751465 0.85 ALDH1A1 (0.51) 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