SCHEMBL9015587

SCHEMBL9015587

CC(C)(C)c1cc(COC(=O)Cl)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
BLM P54132 2/20 0.47
ATM Q13315 2/20 0.47
HIF1A Q16665 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
GAA P10253 6/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL931514 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL6403664 0.84 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL6403668 0.84 GAA (0.53) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL9015714 0.83 GAA (0.44) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL11492567 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL6473822 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL3125768 0.83 GAA (0.50) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL5012328 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL6696308 0.81 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL28850429 0.81 HMGCR (0.49) ALDH1A1KMT2ATSHRMAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed