SCHEMBL10487560

SCHEMBL10487560

C=CC(=O)N1C(C)(C)CC(C(C(=O)OCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(C(=O)OCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C2CC(C)(C)N(C(=O)C=C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 9/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL3836055 0.79 GAA (0.37) GAAHTTPKMALDH1A1MAPT
SCHEMBL3425141 0.78 ALDH1A1 (0.40) GAAHTTPKMALDH1A1MAPT
SCHEMBL9866030 0.77 ALDH1A1 (0.39) GAAHTTPKMALDH1A1MAPT
SCHEMBL12109574 0.76 KMT2A (0.43) GAAHTTPKMALDH1A1MAPT
SCHEMBL11085415 0.76 ALDH1A1 (0.38) GAAHTTPKMALDH1A1MAPT
SCHEMBL6025501 0.75 ALDH1A1 (0.37) GAAHTTPKMALDH1A1MAPT
SCHEMBL9865425 0.75 GAA (0.38) GAAHTTPKMALDH1A1MAPT
SCHEMBL15329996 0.73 GAA (0.40) GAAHTTPKMALDH1A1MAPT
SCHEMBL9838964 0.73 GAA (0.36) GAAHTTPKMALDH1A1MAPT
SCHEMBL15023981 0.73 ALDH1A1 (0.35) GAAHTTPKMALDH1A1MAPT

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-4888371-A HEAT RESISTANCE, LIGHT RESISTANCE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1989-12-19 US disclosed