SCHEMBL7942429

SCHEMBL7942429

CCC(CO)(CO)NC(=O)CCc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KMT2A Q03164 3/20 0.45
IAPP P10997 3/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
OR51E2 Q9H255 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL8030261 0.86 GAA (0.62) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL7933974 0.86 GAA (0.48) GAAKMT2AIAPPHSP90AA1HSP90AB1
SCHEMBL7940420 0.81 GAA (0.53) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL4600026 0.81 GAA (0.54) GAAKMT2AIAPPHSP90AA1HSP90AB1
SCHEMBL11314799 0.79 GAA (0.49) GAAKMT2AIAPPMEN1ALDH1A1
SCHEMBL8340607 0.79 GAA (0.71) GAAKMT2AIAPPHSP90AA1HSP90AB1
SCHEMBL7944852 0.78 KMT2A (0.58) GAAKMT2AMEN1HSD17B10MAOA
SCHEMBL7942322 0.77 GAA (0.51) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8034353 0.76 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1LMNAHTT
SCHEMBL9677227 0.76 KMT2A (0.59) GAAKMT2AMEN1HSD17B10MAOA

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