SCHEMBL7792669

SCHEMBL7792669

CC(CC(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
ALOX5 P09917 2/20 0.37
PTGS2 P35354 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CD69 Q07108 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 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
SCHEMBL7940393 0.86 ALDH1A1 (0.41) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7794952 0.85 ALDH1A1 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7794823 0.84 RXRA (0.41) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL28232441 0.82 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL8616880 0.81 CYP2C19 (0.63) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7720160 0.80 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
Methane SCHEMBL8854369 0.78 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL1278621 0.78 GLRA3 (0.46) CYP3A4CYP1A2TSHRGLRA3GLRB
SCHEMBL10769690 0.78 GLRA3 (0.46) CYP3A4CYP1A2TSHRGLRA3GLRB
SCHEMBL27898975 0.78 CYP2C9 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
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-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed