SCHEMBL5160176

SCHEMBL5160176

CC(C)(C)c1ccc(C(=O)O)c(O)c1C(C)(C)C.[Fe]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
LDHA P00338 1/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 1/20 0.37
GRM1 Q13255 1/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TNFRSF1A P19438 1/20 0.36
ALB P02768 1/20 0.36
MMP2 P08253 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL332091 0.98 GLRA3 (0.46) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL1405885 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL22722987 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL1406034 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL8340705 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL9080891 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL2890497 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL1405928 0.96 GLRA3 (0.44) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL19193174 0.82 SELL (0.54) GLRA3GLRBSELLSELPALDH1A1
SCHEMBL6236049 0.82 CYP1A2 (0.41) GLRA3GLRBSELLSELPALDH1A1

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
EP-0880080-B1 Toner for developing electrostatic images and image forming method CANON KK (JP) 2007-03-14 EP disclosed
US-5948584-A CROSSLINKED VINYL POLYMER-POLYESTER HYDRID RESIN, WAX, COLORANT CANON KABUSHIKI KAISHA (JP) 1999-09-07 US disclosed
EP-0880080-A1 Toner for developing electrostatic images and image forming method CANON KABUSHIKI KAISHA (JP) 1998-11-25 EP disclosed