SCHEMBL7943151

SCHEMBL7943151

CN(CCO)C(=O)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSPA5 P11021 1/20 0.37
GAA P10253 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYP2C9 P11712 5/20 0.36
HIF1A Q16665 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 3/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 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
SCHEMBL7944787 0.88 HSPA5 (0.51) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL8604639 0.86 NR5A2 (0.39) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7940305 0.86 CYP2C19 (0.39) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7940318 0.85 LMNA (0.44) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL27908558 0.82 CYP2C19 (0.41) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7941399 0.82 CYP2C19 (0.40) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7933578 0.81 ALDH1A1 (0.54) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7943156 0.81 CA2 (0.41) ALDH1A1MAPK1HTTSMN1; SMN2KDM4E
SCHEMBL7941427 0.79 CYP2C19 (0.38) CYP2C19ALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7943114 0.79 GAA (0.36) CYP2C19ALDH1A1MAPK1HTTSMN1; 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