SCHEMBL9015705

SCHEMBL9015705

CC(C)(C)c1cc(CCC(=O)OOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.62
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 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
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 3/20 0.47
GMNN O75496 1/20 0.46
GABBR2 O75899 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 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
SCHEMBL9015605 0.91 GAA (0.56) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL490767 0.90 GAA (0.67) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL208761 0.88 GAA (0.60) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL858494 0.88 GAA (0.60) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL7647695 0.88 GAA (0.65) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL24175510 0.88 GAA (0.60) GAAKMT2AMEN1ALDH1A1TSHR
Methane SCHEMBL9226524 0.88 GAA (0.65) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL9015633 0.88 GAA (0.54) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL9015588 0.88 GAA (0.54) GAAKMT2AMEN1ALDH1A1TSHR
SCHEMBL9517656 0.87 GAA (0.59) GAAKMT2AMEN1ALDH1A1TSHR

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