SCHEMBL1708596

SCHEMBL1708596

CC(=O)O[C@@H]1COc2cc(NCc3ccc(C)c(C4=CCCCO4)c3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34
HBB P68871 1/20 0.34
FFAR1 O14842 2/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 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
SCHEMBL1708221 0.85 INSR (0.34) INSRIGF1RMAPTGAAMEN1
SCHEMBL13046528 0.85 FFAR1 (0.41) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL1708594 0.84 FFAR1 (0.46) FFAR1
SCHEMBL10291227 0.81 FFAR1 (0.37) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL1708467 0.79 FFAR1 (0.35) INSRIGF1RMAPTGAAMEN1
SCHEMBL1707901 0.78 GAA (0.38) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL3794470 0.77 RORC (0.33) INSRIGF1RMAPTGAAMEN1
SCHEMBL3719582 0.77 WNT3A (0.39) MAPTGAAALDH1A1FFAR1
SCHEMBL1708611 0.76 POLB (0.33) INSRIGF1RMAPTGAAMEN1
SCHEMBL1708457 0.75 STAT6 (0.37) MAPTGAAALDH1A1FFAR1

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