SCHEMBL9015618

SCHEMBL9015618

CC(CC(C)(C)OOOC(=O)C(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.35
HMGCR P04035 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL9015729 0.86 GAA (0.49) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL9015698 0.83 GAA (0.46) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL9837284 0.81 GAA (0.42) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL9015815 0.77 GAA (0.39) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL206902 0.76 GAA (0.50) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL9015692 0.76 GAA (0.41) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL17266983 0.75 GAA (0.52) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL19103225 0.75 GAA (0.47) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL9015702 0.74 GAA (0.46) GAAKMT2AMEN1HMGCRALDH1A1
SCHEMBL4764331 0.74 GAA (0.54) GAAKMT2AMEN1HMGCRALDH1A1

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