SCHEMBL8030253

SCHEMBL8030253

CCC(CO)(CO)NC(=O)c1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
HSPA5 P11021 1/20 0.36
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
HIF1A Q16665 3/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
GABBR2 O75899 1/20 0.35

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
SCHEMBL7940208 0.92 LMNA (0.49) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL7944869 0.85 CYP1A2 (0.45) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL7942516 0.80 ALDH1A1 (0.46) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL8034353 0.80 HSP90AA1 (0.52) CYP2C9LMNAALDH1A1TYRALOX15
SCHEMBL8335744 0.78 GAA (0.50) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL7940420 0.77 GAA (0.53) CYP2C9CYP2C19CYP1A2LMNAALDH1A1
SCHEMBL8034363 0.76 CYP1A2 (0.45) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL7940434 0.76 NR5A2 (0.59) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL8018921 0.75 LMNA (0.49) CYP2C9CYP2C19CYP1A2LMNARECQL
SCHEMBL9338805 0.73 CYP1A2 (0.47) CYP2C9CYP2C19CYP1A2LMNARECQL

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-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