SCHEMBL7941354

SCHEMBL7941354

CCC(CO)(CO)N(C(=O)CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
GAA P10253 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 6/20 0.34
HSPA5 P11021 2/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
CYP2C9 P11712 5/20 0.33
HIF1A Q16665 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.31

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
SCHEMBL7944770 0.89 HSPA5 (0.47) GAAALDH1A1MAPK1NPSR1CYP2C19
SCHEMBL7941427 0.87 CYP2C19 (0.38) NR5A2NR5A1GAAALDH1A1MAPK1
SCHEMBL7943114 0.87 GAA (0.36) NR5A2NR5A1GAAALDH1A1MAPK1
SCHEMBL7942318 0.86 CYP2C19 (0.37) NR5A2NR5A1GAAALDH1A1MAPK1
SCHEMBL7941042 0.83 GAA (0.52) GAAALDH1A1MAPK1NPSR1HTT
SCHEMBL7944834 0.82 IAPP (0.40) GAANPSR1HTTKMT2AMEN1
SCHEMBL7940140 0.79 GAA (0.45) GAAALDH1A1MAPK1NPSR1HTT
SCHEMBL7944883 0.79 CYP2C19 (0.38) NR5A2NR5A1GAAALDH1A1MAPK1
SCHEMBL27908558 0.79 CYP2C19 (0.41) NR5A2NR5A1GAAALDH1A1MAPK1
SCHEMBL7941399 0.78 CYP2C19 (0.40) NR5A2NR5A1GAAALDH1A1MAPK1

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 2 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