SCHEMBL11033141

SCHEMBL11033141

C=C(Cc1cc(C)c(O)c(C(C)(C)C)c1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 6/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 0.37
ATM Q13315 2/20 0.37
HIF1A Q16665 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
SCN2A Q99250 2/20 0.36
LMNA P02545 2/20 0.36
GSR P00390 2/20 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
SCHEMBL95299 0.91 GAA (0.47) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL4815659 0.84 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19GAAKMT2A
Methane SCHEMBL11048033 0.83 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL8747642 0.79 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL28797246 0.78 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL9556746 0.78 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL283522 0.77 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL14791819 0.76 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL993200 0.76 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19GAAKMT2A
SCHEMBL10399329 0.76 GAA (0.44) CYP1A2CYP2C9CYP2C19GAAKMT2A

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
JP-59025349-A None JP disclosed
JP-S5925349-A TETRAKIS(METHYLENE-3-(3-METHYL-5-T-BUTYL-4-HYDROXYPHENYL) PROPIONATE)METHANE AND STABILIZED POLYOLEFIN RESIN COMPOSITION CONTAINING IT SUMITOMO CHEM CO LTD 1984-02-09 JP disclosed