SCHEMBL7942516

SCHEMBL7942516

CCC(CO)(CO)NC(=O)c1cc(C)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
TYR P14679 1/20 0.46
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
HSPA5 P11021 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36

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
SCHEMBL7940434 0.88 NR5A2 (0.59) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8018882 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7941478 0.82 CA2 (0.44) ALDH1A1CA2POLBNR5A2NR5A1
SCHEMBL7940208 0.81 LMNA (0.49) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8030253 0.80 CYP2C9 (0.41) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7940363 0.77 NR5A2 (0.56) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8018893 0.76 HSPA5 (0.49) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL7198879 0.73 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8604816 0.73 NR5A2 (0.54) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL8034353 0.72 HSP90AA1 (0.52) ALDH1A1TYRCYP2C9HSD17B10LMNA

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