SCHEMBL7943069

SCHEMBL7943069

CC(C)(C)c1cc(CCC(=O)NCCO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
KMT2A Q03164 2/20 0.53
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
MEN1 O00255 1/20 0.44
GSR P00390 2/20 0.40
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
CNR1 P21554 7/20 0.39
CNR2 P34972 6/20 0.39
ALDH1A1 P00352 2/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PCNA P12004 1/20 0.37

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
SCHEMBL7943061 0.92 GAA (0.51) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7942495 0.91 GAA (0.50) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7942468 0.90 GAA (0.49) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL28136542 0.90 GAA (0.67) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL8606822 0.88 GAA (0.52) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7941083 0.87 GAA (0.53) GAAKMT2AMEN1GSRMAOA
SCHEMBL8608267 0.86 GAA (0.50) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL28204520 0.85 NR5A2 (0.56) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL27955432 0.85 NR5A2 (0.56) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7567813 0.85 GAA (0.49) GAAKMT2ANR5A2NR5A1MEN1

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