SCHEMBL7833552

SCHEMBL7833552

Cc1ccc2c(c1NC(=O)C(C)(O)C(F)(F)F)C(=O)c1ccccc1CO2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 10/20 0.46
PDK2 Q15119 10/20 0.46
PDK3 Q15120 10/20 0.46
PDK4 Q16654 10/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
ABCC9 O60706 2/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
MAPK14 Q16539 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL7829442 0.85 PDK1 (0.43) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7831455 0.83 PDK1 (0.49) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7835352 0.82 PDK1 (0.49) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8796630 0.80 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7830325 0.79 PDK1 (0.50) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7833166 0.79 ABCC9 (0.54) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8796551 0.77 PDK1 (0.47) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7832140 0.77 MAPK14 (0.56) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7829360 0.74 PDK1 (0.52) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7832786 0.73 PDK1 (0.41) PDK1PDK2PDK3PDK4ABCC9

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
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed