SCHEMBL9325870

SCHEMBL9325870

CC(C)(C)c1cc2ccccc2c(C(=O)[O-])c1O.CC(C)(C)c1cc2ccccc2c(C(=O)[O-])c1O.CC(C)(C)c1cc2ccccc2c(C(=O)[O-])c1O.[Cr+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.45
GLRB P48167 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
IGF1R P08069 1/20 0.36
CASP6 P55212 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
SCHEMBL19195723 0.84 GLRA3 (0.66) GLRA3GLRBMEN1KMT2AALDH1A1
SCHEMBL9325873 0.83 GLRA3 (0.64) GLRA3GLRBMEN1KMT2AALDH1A1
SCHEMBL23139694 0.77 MEN1 (0.56) GLRA3GLRBMEN1KMT2AALDH1A1
SCHEMBL19196664 0.77 CA2 (0.45) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL8879633 0.76 KCNJ11 (0.39) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL2295837 0.75 CA2 (0.43) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL22623597 0.75 MEN1 (0.53) GLRA3GLRBMEN1KMT2AALDH1A1
SCHEMBL8338477 0.74 CA2 (0.42) MEN1KMT2AALDH1A1HPGDCYP1A2
Potassium Ion SCHEMBL28935139 0.73 KDM4E (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL28935029 0.73 KDM4E (0.46) MEN1KMT2AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420197-B1 Image forming method and image forming apparatus CANON KK (JP) 1994-03-02 EP disclosed