SCHEMBL9903207

SCHEMBL9903207

CCc1ccc(C(CC)(C(=O)O)C(=O)O)c([N+](=O)[O-])c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PDK1 Q15118 1/20 0.33
FBP1 P09467 2/20 0.32
HTT P42858 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR3 P49019 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL1641897 0.77 FBP1 (0.37) POLBALDH1A1PDK1FBP1HTT
SCHEMBL7977850 0.77 ALDH1A1 (0.35) POLBALDH1A1FBP1KMT2A
SCHEMBL2298373 0.77 FBP1 (0.37) POLBALDH1A1PDK1FBP1HTT
SCHEMBL3785484 0.76 ALDH1A1 (0.42) POLBALDH1A1PDK1FBP1HTT
SCHEMBL4819823 0.76 ALDH1A1 (0.35) POLBALDH1A1FBP1SMN1; SMN2
SCHEMBL2300346 0.76 ALDH1A1 (0.33) POLBALDH1A1HTTL3MBTL1GAA
SCHEMBL9054298 0.75 ALDH1A1 (0.48) POLBALDH1A1HTTL3MBTL1GAA
SCHEMBL5530171 0.73 GABRA1 (0.42) MEN1KMT2A
SCHEMBL8477971 0.72 ALDH1A1 (0.36) POLBALDH1A1PDK1FBP1HTT
SCHEMBL1772317 0.71 RIPK1 (0.43) HTTLMNAMEN1KMT2ASMN1; SMN2

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-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed