SCHEMBL7944869

SCHEMBL7944869

Cc1cc(C(=O)NC(C)(CO)CO)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GMNN O75496 1/20 0.37
GABBR2 O75899 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL8018921 0.91 LMNA (0.49) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8030253 0.85 CYP2C9 (0.41) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8335744 0.81 GAA (0.50) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL8034363 0.79 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL7940345 0.78 HSP90AA1 (0.52) CYP2C9LMNAALDH1A1KMT2AALOX15
SCHEMBL8018882 0.77 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL9338805 0.76 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL11636683 0.76 GAA (0.52) LMNARECQLALDH1A1GAAKMT2A
SCHEMBL8606008 0.75 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19LMNARECQL
SCHEMBL7941225 0.75 GAA (0.57) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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