SCHEMBL7942468

SCHEMBL7942468

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KMT2A Q03164 3/20 0.49
NR5A2 O00482 1/20 0.47
NR5A1 Q13285 1/20 0.47
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.38
NAAA Q02083 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 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
SCHEMBL7942495 0.99 GAA (0.50) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7943061 0.95 GAA (0.51) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL27955432 0.91 NR5A2 (0.56) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL28204520 0.91 NR5A2 (0.56) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7943069 0.90 GAA (0.53) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7940002 0.88 GAA (0.49) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL7941152 0.87 GAA (0.50) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL8608267 0.87 GAA (0.50) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL28136542 0.85 GAA (0.67) GAAKMT2ANR5A2NR5A1MEN1
SCHEMBL8606822 0.84 GAA (0.52) 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