SCHEMBL12436742

SCHEMBL12436742

CC(C)(C)C(=O)C(F)(F)Sc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
FKBP1A P62942 1/20 0.38
KCNK2 O95069 2/20 0.37
KCNK10 P57789 2/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PPARA Q07869 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
SCHEMBL15113921 0.81 POLB (0.41) PDK1PDK2PDK3PDK4MAPT
SCHEMBL12436754 0.78 CYP2C9 (0.40) MAPTALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL13950430 0.74 MAPT (0.41) PDK1PDK2PDK3PDK4MAPT
SCHEMBL12438111 0.73 CYP1A2 (0.51) MAPTALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL12437037 0.72 MAPT (0.42) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4398676 0.72 PPARA (0.51) MAPTALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL11539611 0.71 SLC22A12 (0.48) MAPTALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL2737144 0.69 SLC6A4 (0.45) MAPTALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL8941845 0.69 ALDH1A1 (0.58) MAPTALDH1A1NPSR1KCNK2KCNK10
SCHEMBL8005997 0.69 KCNK2 (0.54) MAPTALDH1A1NPSR1KCNK2KCNK10

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-1304316-B1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS DAIKIN IND LTD (JP) 2011-08-10 EP disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed