SCHEMBL1856510

SCHEMBL1856510

CCOC(=O)c1cccc(-c2cccc3sc(CO)cc23)c1.CCOC(=O)c1cccc(-c2cccc3sc(Cc4cc(F)cc(Cl)c4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.50
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKDC P78527 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALOX5 P09917 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
SLC9A1 P19634 2/20 0.36
GALR1 P47211 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
SCHEMBL1851421 0.96 GPR52 (0.53) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1856035 0.87 GPR52 (0.49) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1848497 0.85 HPGD (0.47) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1851841 0.84 GPR52 (0.48) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1849212 0.83 GPR52 (0.53) GPR52SLC9A1
SCHEMBL1847924 0.83 GPR52 (0.56) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1850522 0.83 GPR52 (0.70) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL3204287 0.83 GPR52 (0.50) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL1851960 0.82 GPR52 (0.55) GPR52NPC1ALDH1A1MAPTRAB9A
SCHEMBL3208929 0.80 GPR52 (0.47) GPR52NPC1ALDH1A1MAPTRAB9A

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed