SCHEMBL7940434

SCHEMBL7940434

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.59
NR5A1 Q13285 1/20 0.59
ALOX5 P09917 4/20 0.38
PTGS2 P35354 4/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 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
TP53 P04637 1/20 0.35
ALOX15 P16050 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
SCHEMBL7942516 0.88 ALDH1A1 (0.46) NR5A2NR5A1PTGS2CYP1A2CYP3A4
SCHEMBL7933531 0.85 NR5A2 (0.59) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL7941478 0.81 CA2 (0.44) NR5A2NR5A1ALOX5PTGS2TSHR
SCHEMBL7940208 0.80 LMNA (0.49) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL27348030 0.79 NR5A2 (0.74) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL10577013 0.78 NR5A2 (0.65) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL9492845 0.78 NR5A2 (0.64) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL8028524 0.77 GAA (0.41) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL18613875 0.76 NR5A2 (0.84) NR5A2NR5A1ALOX5PTGS2CYP1A2
SCHEMBL8018917 0.76 NR5A2 (0.75) NR5A2NR5A1ALOX5PTGS2ALDH1A1

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