SCHEMBL7940140

SCHEMBL7940140

CCC(CO)(CO)N(C(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
GMNN O75496 1/20 0.36
GABBR2 O75899 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
ATM Q13315 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL7941042 0.93 GAA (0.52) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7942467 0.87 GAA (0.43) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7940415 0.87 GAA (0.48) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7944880 0.86 GAA (0.43) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7944867 0.82 HSP90AA1 (0.40) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7944770 0.82 HSPA5 (0.47) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7942948 0.79 GAA (0.50) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7941354 0.79 NR5A2 (0.36) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7943135 0.79 GAA (0.56) GAAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7933581 0.79 GAA (0.44) GAAKMT2AMEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-6075159-A USE AS A STABILIZER FOR AN ORGANIC MATERIAL SUCH AS THERMOPLASTIC RESINS, THERMOSETTING RESINS, NATURAL OR SYNTHETIC RUBBERS, MINERAL OILS, LUBRICATING OILS, ADHESIVES AND PAINTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-13 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed