SCHEMBL2566536

SCHEMBL2566536

CCCOCC(O)CSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.43
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TP53 P04637 6/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
LIPE Q05469 1/20 0.32

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
SCHEMBL2566533 0.89 FADS1 (0.44) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2568025 0.86 FADS1 (0.47) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2562601 0.84 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2561473 0.84 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2995705 0.83 FADS1 (0.39) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2567552 0.83 FADS1 (0.49) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2566441 0.81 FADS1 (0.47) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2565109 0.81 FADS1 (0.47) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2567416 0.81 FADS1 (0.47) FADS1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2559985 0.81 FADS1 (0.51) FADS1PIK3CDPIK3CBPIK3CGPIK3CA

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-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed