SCHEMBL3715294

SCHEMBL3715294

CC(=O)O[C@@H]1COc2cc(N[C@@H]3COc4c3cccc4N3C[C@@H](C)O[C@@H](C)C3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ACACB O00763 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3715292 0.82 PPARG (0.41) MAPTKDM4E
SCHEMBL3716544 0.81 HTR2A (0.33) LMNAMAPTKDM4EALDH1A1TP53
SCHEMBL1708399 0.78 TSHR (0.38) LMNAMAPTTSHRALDH1A1GAA
SCHEMBL1708112 0.78 TSHR (0.38) LMNAMAPTTSHRALDH1A1GAA
SCHEMBL1707944 0.78 TSHR (0.38) LMNAMAPTTSHRALDH1A1GAA
SCHEMBL1708166 0.77 LMNA (0.36) LMNAMAPTTSHRALDH1A1TP53
SCHEMBL1708168 0.77 NTRK1 (0.36) LMNAMAPTTSHRALDH1A1GAA
SCHEMBL1707942 0.77 NTRK1 (0.36) LMNAMAPTTSHRALDH1A1GAA
SCHEMBL1707749 0.76 MAPT (0.34) LMNAMAPTKDM4EALDH1A1TP53
SCHEMBL1708628 0.76 MAPT (0.32) LMNAMAPTTSHRALDH1A1SMN1; SMN2

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-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed