SCHEMBL4012069

SCHEMBL4012069

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)nc(CC)n1-c1ccc(OC2CCC(C(=O)OCC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 14/20 0.43
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL1892460 0.90 SLC33A1 (0.41) SLC33A1PPARGKDM4EALDH1A1GAA
SCHEMBL4010015 0.83 PPARG (0.38) SLC33A1PPARGTSHRFFAR1AKR1B1
SCHEMBL4319356 0.82 ACHE (0.38) SLC33A1PPARGFFAR1AKR1B1
SCHEMBL4306949 0.80 ACHE (0.40) SLC33A1PPARGFFAR1AKR1B1
SCHEMBL1894521 0.80 SLC33A1 (0.40) SLC33A1PPARG
SCHEMBL1891360 0.79 HRH3 (0.43) SLC33A1PPARG
SCHEMBL1890836 0.77 SLC33A1 (0.37) SLC33A1PPARG
SCHEMBL1892653 0.77 HRH3 (0.42) SLC33A1
SCHEMBL4009738 0.76 AGTR1 (0.37) SLC33A1PPARGFFAR1AKR1B1
SCHEMBL1890120 0.76 HRH3 (0.42) SLC33A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed