SCHEMBL7941357

SCHEMBL7941357

Cc1cc(CCC(=O)N(CCO)C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GSR P00390 2/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
HIF1A Q16665 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
SCHEMBL7933599 0.92 ALDH1A1 (0.52) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL8031725 0.86 GAA (0.46) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL7944763 0.84 GAA (0.44) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL7933581 0.81 GAA (0.44) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL23930385 0.81 GAA (0.55) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL7942934 0.81 HTT (0.44) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL7940213 0.81 HSPA5 (0.50) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL7940415 0.80 GAA (0.48) GAAALDH1A1HTTMAPK1MAPT
SCHEMBL7944880 0.80 GAA (0.43) GAAALDH1A1HTTMAPK1MAPT
Ethylene Glycol SCHEMBL8407093 0.79 GAA (0.51) GAAALDH1A1HTTMAPK1MAPT

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