SCHEMBL166013

SCHEMBL166013

COC(=O)Cc1ccc(SCC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDK2 Q15119 1/20 0.42
HSP90AB1 P08238 1/20 0.41
PTPRZ1 P23471 1/20 0.40

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
SCHEMBL13946807 0.81 PTPRZ1 (0.60) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL24032669 0.80 CYP4F2 (0.56) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL2646823 0.79 CYP4F2 (0.54) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL168640 0.78 MAPT (0.54) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL10061268 0.78 CYP4F2 (0.62) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL4113212 0.77 CYP4F2 (0.76) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL1551331 0.76 CYP4F2 (0.59) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL10688303 0.75 FFAR1 (0.55) CYP4F2CYP4A11MAPK1ALDH1A1MEN1
SCHEMBL23193672 0.75 CYP4F2 (0.58) CYP4F2CYP4A11MAPTMAPK1GAA
SCHEMBL841124 0.75 CYP4F2 (0.58) CYP4F2CYP4A11MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed