SCHEMBL9015692

SCHEMBL9015692

CC(CC(C)(C)OOC(C)(C)C)OC(=O)OCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.36
ALOX5 P09917 1/20 0.35
HMGCR P04035 2/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
VCAM1 P19320 1/20 0.33
APP P05067 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL9015698 0.89 GAA (0.46) GAAKMT2AMEN1HMGCRHTT
SCHEMBL9015729 0.85 GAA (0.49) GAAKMT2AMEN1HMGCRHTT
SCHEMBL9015619 0.85 HMGCR (0.38) GAAKMT2AMEN1HMGCRHTT
SCHEMBL9015691 0.82 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL9015609 0.81 GAA (0.39) GAAKMT2AMEN1HMGCRHTT
SCHEMBL9015732 0.79 GAA (0.49) GAAKMT2AMEN1HMGCRHTT
SCHEMBL208761 0.79 GAA (0.60) GAAKMT2AMEN1ALOX5HTT
SCHEMBL9015641 0.78 GAA (0.51) GAAKMT2AMEN1ALOX5HTT
SCHEMBL9015749 0.78 GAA (0.48) GAAKMT2AMEN1ALOX5HTT
SCHEMBL9245230 0.78 GAA (0.48) GAAKMT2AMEN1ALOX5HMGCR

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