SCHEMBL7933599

SCHEMBL7933599

CC(C)(C)c1cc(CCC(=O)N(CCO)C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 3/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 7/20 0.52
KMT2A Q03164 6/20 0.49
GSR P00390 2/20 0.46
MEN1 O00255 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
BLM P54132 2/20 0.43
ATM Q13315 2/20 0.43
HIF1A Q16665 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL7941357 0.92 GAA (0.45) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL13917314 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL7942934 0.85 HTT (0.44) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL7933578 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL7940213 0.83 HSPA5 (0.50) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL7944817 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL7940305 0.82 CYP2C19 (0.39) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL9064772 0.80 GAA (0.57) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL7943231 0.80 GAA (0.51) ALDH1A1MAPK1HTTMAPTSMN1; SMN2
SCHEMBL501541 0.79 GAA (0.65) ALDH1A1MAPK1HTTMAPTSMN1; SMN2

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