SCHEMBL23053283

SCHEMBL23053283

CC(C)c1ccc2c([C@H](O)C(=O)O)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.46
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
KIF11 P52732 1/20 0.40
NOD2 Q9HC29 1/20 0.39
EDNRA P25101 1/20 0.38
GAA P10253 5/20 0.38
KDM4E B2RXH2 1/20 0.38
SPR P35270 1/20 0.38
HTR1D P28221 2/20 0.38
MGAM O43451 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37
PTGS2 P35354 2/20 0.37
MEN1 O00255 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
SCHEMBL27836233 0.84 EIF4A3 (0.48) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL888682 0.81 KIF11 (0.49) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25786727 0.75 AURKA (0.46) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1558774 0.75 PRKAB2 (0.51) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL719008 0.74 MAPT (0.57) NOD2GAAKDM4EMGAMSI
SCHEMBL19178970 0.72 TDO2 (0.63) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18973668 0.71 MEN1 (0.45) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10147746 0.71 KIF11 (0.49) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3723653 0.71 PRKAB2 (0.47) EIF4A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21008475 0.70 HTR1D (0.53) EIF4A3KIF11HTR1DMAPTHTR1B

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
WO-2021038095-A1 PEPTIDES AND METHODS FOR THE CARBON-CARBON BOND FORMATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-03-04 WO disclosed