SCHEMBL3939343

SCHEMBL3939343

CCOC(=O)CC(CC(=O)OCC)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PPID Q08752 1/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL4408344 0.94 ALDH1A1 (0.48) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL28242849 0.90 ALDH1A1 (0.45) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL8503472 0.88 ALDH1A1 (0.44) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL11020359 0.85 GAA (0.53) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL7379537 0.84 ALDH1A1 (0.48) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL11017995 0.84 ALDH1A1 (0.48) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL28242825 0.83 ALDH1A1 (0.47) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL8121589 0.83 ALDH1A1 (0.47) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL14615758 0.81 ALDH1A1 (0.46) ALDH1A1GAATSHRPPIDMEN1
SCHEMBL30305384 0.81 ALDH1A1 (0.46) ALDH1A1GAATSHRPPIDMEN1

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
WO-2009015179-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 — — WO disclosed
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