SCHEMBL28850429

SCHEMBL28850429

CC(C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.49
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 6/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
GMNN O75496 1/20 0.45
GABBR2 O75899 1/20 0.45

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
SCHEMBL28850430 0.92 HMGCR (0.46) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL11761704 0.87 HMGCR (0.47) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL18670907 0.86 HMGCR (0.46) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL6403668 0.83 GAA (0.53) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL6403664 0.83 ALDH1A1 (0.49) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL931514 0.83 ALDH1A1 (0.51) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL28853616 0.81 HMGCR (0.48) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL3125768 0.81 GAA (0.50) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL9015587 0.81 ALDH1A1 (0.47) HMGCRALDH1A1KMT2ATSHRMAPK1
SCHEMBL11492567 0.81 ALDH1A1 (0.47) HMGCRALDH1A1KMT2ATSHRMAPK1

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-107075202-A Use of organooxyimide salts as flame retardants, flame-retardant plastic compositions, method for the production thereof and moulded parts, paints or coatings 弗劳恩霍弗应用研究促进协会 2017-08-18 CN disclosed