SCHEMBL1707989

SCHEMBL1707989

CC(=O)O[C@H]1c2ccc(NCc3ccc(C)c(-c4cnc(N5CCOCC5)c(C)c4)c3C)cc2OC1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.38
SUZ12 Q15022 4/20 0.38
EZH2 Q15910 4/20 0.38
TRPV3 Q8NET8 1/20 0.34
GAA P10253 4/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
STAT6 P42226 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
ABL1 P00519 1/20 0.31
MTOR P42345 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1708222 0.94 STAT6 (0.36) EEDSUZ12EZH2TRPV3GAA
SCHEMBL1708599 0.90 WNT3A (0.38) EEDSUZ12EZH2MAPTRAF1
SCHEMBL1707923 0.85 GAA (0.36) GAAALOX15MAPK1ALDH1A1MAPT
SCHEMBL1708225 0.81 KLKB1 (0.35) EZH2GAAALDH1A1MAPTMTOR
SCHEMBL1708457 0.81 STAT6 (0.37) EEDSUZ12EZH2TRPV3GAA
SCHEMBL1707869 0.80 STAT6 (0.36) EEDSUZ12EZH2TRPV3GAA
SCHEMBL13046578 0.80 FFAR1 (0.40) EEDSUZ12EZH2TRPV3GAA
SCHEMBL10009384 0.80 FFAR1 (0.45) EEDSUZ12EZH2
SCHEMBL10291388 0.77 EED (0.40) EEDSUZ12EZH2TRPV3STAT6
SCHEMBL3719582 0.77 WNT3A (0.39) EEDSUZ12EZH2GAAALOX15

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