SCHEMBL29656702

SCHEMBL29656702

CCCCCC(OC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1)OC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.41
LTA4H P09960 2/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HMGCR P04035 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
ESR1 P03372 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL471138 0.93 GAA (0.52) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL13015785 0.91 GAA (0.48) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL29009016 0.88 GAA (0.41) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL14438471 0.84 GAA (0.42) GAAKMT2AMEN1LTA4HCNR2
SCHEMBL14438470 0.84 ATM (0.41) GAAKMT2AMEN1LTA4HCNR2
SCHEMBL27931228 0.83 GAA (0.50) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL5050886 0.83 GAA (0.50) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL8594222 0.83 GAA (0.50) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL8644034 0.83 GAA (0.50) GAAKMT2AMEN1LTA4HCNR1
SCHEMBL9017914 0.83 GAA (0.50) GAAKMT2AMEN1LTA4HCNR1

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
CN-114539675-A Stable resin composition SABIC环球技术有限责任公司 2022-05-27 CN claimed
CN-114539675-A Stable resin composition SABIC环球技术有限责任公司 2022-05-27 CN disclosed