SCHEMBL1708221

SCHEMBL1708221

CC(=O)O[C@H]1c2ccc(NCc3ccc(C)c(C4=CCCCO4)c3C)cc2OC1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 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
SCHEMBL1708596 0.85 INSR (0.35) INSRIGF1RMAPTALDH1A1GAA
SCHEMBL1708594 0.78 FFAR1 (0.46)
SCHEMBL1707923 0.78 GAA (0.36) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL1708225 0.77 KLKB1 (0.35) MAPTALDH1A1GAASMN1; SMN2TDP1
SCHEMBL1707989 0.76 EED (0.38) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL1708599 0.76 WNT3A (0.38) MAPT
SCHEMBL1708277 0.76 RORC (0.33)
SCHEMBL10291227 0.75 FFAR1 (0.37) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL1708592 0.75 ALDH1A1 (0.33) ALDH1A1GAASMN1; SMN2TDP1L3MBTL1
SCHEMBL1708222 0.74 STAT6 (0.36) GAA

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