SCHEMBL7524958

SCHEMBL7524958

CC(C)CC(=O)OCC(C)(C)NC(=O)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPK14 Q16539 3/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
PSMB5 P28074 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SNCA P37840 1/20 0.36
HDAC4 P56524 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7528950 0.86 L3MBTL1 (0.42) ALDH1A1CNR1CNR2CES2CES1
SCHEMBL7532764 0.86 ALDH1A1 (0.44) ALDH1A1MAPK14CNR1CNR2CES2
SCHEMBL7525193 0.85 CES2 (0.40) ALDH1A1CNR1CNR2CES2CES1
SCHEMBL7529687 0.85 ALDH1A1 (0.42) ALDH1A1MAPK14CNR1CNR2CES2
SCHEMBL7522596 0.84 F2R (0.39) ALDH1A1CNR1CNR2CES2CES1
SCHEMBL7523818 0.84 ALDH1A1 (0.42) ALDH1A1MAPK14CNR1CNR2CES2
SCHEMBL7523810 0.84 ALDH1A1 (0.42) ALDH1A1MAPK14CNR1CNR2CES2
SCHEMBL7523804 0.84 HDAC3 (0.41) ALDH1A1CNR1CNR2CES2CES1
SCHEMBL7527282 0.84 CES2 (0.42) ALDH1A1MAPK14CNR1CNR2CES2
SCHEMBL7522572 0.83 LMNA (0.39) ALDH1A1CNR1CNR2CES2CES1

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-1184367-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-03-06 EP disclosed