SCHEMBL2568025

SCHEMBL2568025

CCCOCCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.47
TSHR P16473 2/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.36
TP53 P04637 6/20 0.35
LMNA P02545 2/20 0.35
LIPE Q05469 1/20 0.35
ALDH1A1 P00352 1/20 0.34
APLNR P35414 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE2A O00408 1/20 0.32
PDE1B Q01064 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
SCHEMBL2566441 0.94 FADS1 (0.47) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2563907 0.92 FADS1 (0.46) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2566907 0.90 FADS1 (0.49) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2562601 0.90 FADS1 (0.51) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2565109 0.89 FADS1 (0.47) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL3000003 0.89 FADS1 (0.47) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2567552 0.89 FADS1 (0.49) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2568021 0.88 FADS1 (0.47) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2566541 0.87 FADS1 (0.50) FADS1TSHRPIK3CDPIK3CBPIK3CG
SCHEMBL2561473 0.86 FADS1 (0.49) FADS1TSHRPIK3CDPIK3CBPIK3CG

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