SCHEMBL7522572

SCHEMBL7522572

CC(C)(COC(=O)CCC(=O)O)NC(=O)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HDAC3 O15379 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SNCA P37840 1/20 0.36
ACKR3 P25106 1/20 0.36
HDAC4 P56524 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7522596 0.89 F2R (0.39) LMNACES2CES1L3MBTL1ALDH1A1
SCHEMBL7523804 0.89 HDAC3 (0.41) LMNACES2CES1L3MBTL1ALDH1A1
SCHEMBL7527977 0.87 CNR1 (0.41) LMNACES2CES1L3MBTL1ALDH1A1
SCHEMBL7528950 0.86 L3MBTL1 (0.42) CES2CES1L3MBTL1ALDH1A1CNR1
SCHEMBL7525193 0.85 CES2 (0.40) CES2CES1L3MBTL1ALDH1A1MEN1
SCHEMBL7534518 0.85 CNR1 (0.42) CES2CES1L3MBTL1HDAC3CNR1
SCHEMBL7524716 0.85 CNR1 (0.42) CES2CES1L3MBTL1HDAC3CNR1
SCHEMBL7525136 0.85 CNR1 (0.42) CES2CES1L3MBTL1HDAC3CNR1
SCHEMBL7529343 0.85 CNR1 (0.42) CES2CES1L3MBTL1HDAC3CNR1
SCHEMBL7527282 0.84 CES2 (0.42) CES2CES1L3MBTL1ALDH1A1CNR1

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