SCHEMBL8284352

SCHEMBL8284352

CC(C)(C)OC(=O)NCC(F)(F)C(C)(C)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
APLNR P35414 1/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CA14 Q9ULX7 1/20 0.34
EPHX1 P07099 1/20 0.34
PTPN11 Q06124 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL31368614 0.83 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL3049060 0.79 MEN1 (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL1536313 0.77 HMGCR (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL2374951 0.77 HMGCR (0.50) MEN1KMT2AGAATDP1MAOA
SCHEMBL12698678 0.76 TDP1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL4202727 0.76 TDP1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL843323 0.76 TDP1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL5548918 0.76 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL28460437 0.75 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA
SCHEMBL17141089 0.75 MEN1 (0.46) MEN1KMT2AGAATDP1MAOA

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-2005082362-A1 THERAPEUTIC COMBINATIONS PFIZER INC. (US) 2005-09-09 WO disclosed