SCHEMBL7940305

SCHEMBL7940305

CC(C)(C)c1cc(CCC(=O)N(CCO)C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 3/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSPA5 P11021 1/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYP2C9 P11712 4/20 0.35
HIF1A Q16665 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 3/20 0.34

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
SCHEMBL7940213 0.89 HSPA5 (0.50) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7943151 0.86 CYP2C19 (0.40) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7940318 0.84 LMNA (0.44) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7933599 0.82 ALDH1A1 (0.52) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7944883 0.81 CYP2C19 (0.38) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL27908558 0.81 CYP2C19 (0.41) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7940075 0.81 HTT (0.41) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7943114 0.80 GAA (0.36) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7942318 0.80 CYP2C19 (0.37) CYP2C19HTTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7941399 0.79 CYP2C19 (0.40) CYP2C19HTTALDH1A1MAPK1SMN1; 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