SCHEMBL1708467

SCHEMBL1708467

COc1ccc(-c2c(C)ccc(CNc3ccc4c(c3)OC[C@H]4OC(C)=O)c2C)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.35
NTRK1 P04629 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.35
TNIK Q9UKE5 1/20 0.34
CSF1R P07333 3/20 0.34
PIK3CA P42336 1/20 0.34
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 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
SCHEMBL3715118 0.91 PTGES (0.39) NTRK1HCRTR1HCRTR2MAPT
SCHEMBL1708584 0.89 CD274 (0.41) NTRK1HCRTR1HCRTR2EEDSUZ12
SCHEMBL1708466 0.86 FFAR1 (0.49) FFAR1
SCHEMBL10292316 0.85 FFAR1 (0.40) FFAR1NTRK1KLKB1CSF1RPIK3CA
SCHEMBL1708225 0.85 KLKB1 (0.35) FFAR1NTRK1KLKB1TNIKPIK3CA
SCHEMBL3719582 0.85 WNT3A (0.39) FFAR1ALDH1A1GAAMAPTEED
SCHEMBL1708611 0.83 POLB (0.33) FFAR1POLBINSRIGF1RALDH1A1
SCHEMBL1708457 0.80 STAT6 (0.37) FFAR1ALDH1A1GAAMAPTEED
SCHEMBL1707869 0.79 STAT6 (0.36) FFAR1ALDH1A1GAAMAPTEED
SCHEMBL1708596 0.79 INSR (0.35) FFAR1POLBINSRIGF1RALDH1A1

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