SCHEMBL1708074

SCHEMBL1708074

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(SC)nc5ccccc54)c3C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 5/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FFAR1 O14842 2/20 0.36
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 3/20 0.34
PTGS2 P35354 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL10010763 0.93 FFAR1 (0.41) ALDH1A1LMNAMAPTL3MBTL1FFAR1
SCHEMBL10291337 0.91 TSHR (0.39) ALDH1A1LMNAMAPTL3MBTL1FFAR1
SCHEMBL1708164 0.90 FFAR1 (0.37) ALDH1A1LMNAMAPTL3MBTL1FFAR1
SCHEMBL1708157 0.90 FFAR1 (0.38) ALDH1A1LMNAMAPTL3MBTL1FFAR1
SCHEMBL13046527 0.88 DRD2 (0.44) ALDH1A1LMNAMAPTL3MBTL1FFAR1
SCHEMBL1708146 0.88 FFAR1 (0.36) LMNAFFAR1HTTGAATSHR
SCHEMBL1708632 0.88 FFAR1 (0.36) ALDH1A1LMNAL3MBTL1FFAR1HTT
SCHEMBL10291221 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTL3MBTL1HTT
SCHEMBL1708614 0.88 LMNA (0.39) ALDH1A1LMNAMAPTFFAR1HTT
SCHEMBL1708113 0.88 FFAR1 (0.40) ALDH1A1LMNAMAPTL3MBTL1FFAR1

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-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed