SCHEMBL9589869

SCHEMBL9589869

CC(C)(C)c1cc(CC(CCCC(C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)(C(=O)O)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9591867 0.87 ALDH1A1 (0.34) GAAPKMHTTALDH1A1KDM4E
SCHEMBL10570668 0.84 ALDH1A1 (0.36) GAAPKMHTTALDH1A1KDM4E
SCHEMBL207800 0.84 ALDH1A1 (0.36) GAAPKMHTTALDH1A1KDM4E
SCHEMBL11290985 0.84 ALDH1A1 (0.35) GAAPKMHTTALDH1A1KDM4E
SCHEMBL9589852 0.81 GAA (0.35) GAAPKMHTTALDH1A1KDM4E
SCHEMBL7795986 0.80 ALDH1A1 (0.36) GAAPKMHTTALDH1A1KDM4E
SCHEMBL10904589 0.79 MAOB (0.32) GAAALDH1A1MEN1KMT2AUSP2
SCHEMBL9589848 0.76 GAA (0.33) GAAPKMHTTALDH1A1KDM4E
SCHEMBL17159655 0.75 VCAM1 (0.30)
SCHEMBL1788650 0.74 ALDH1A1 (0.33) GAAPKMHTTALDH1A1KDM4E

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
US-5204473-A O-substituted N-hydroxy hindered amine stabilizers CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed