SCHEMBL8568484

SCHEMBL8568484

FC(F)(F)COc1cc(C(F)(F)F)c[c]n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL8563774 0.84 MAPK1 (0.38) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8563824 0.78 MAPT (0.33) MAPTKDM4ESMN1; SMN2
SCHEMBL1515052 0.71 NOS3 (0.32) HSP90AA1HSP90AB1NOS3NOS2
SCHEMBL8133589 0.69 L3MBTL1 (0.39) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL2586010 0.69 L3MBTL1 (0.39) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL20526106 0.69 NOS3 (0.33) NOS3NOS2
SCHEMBL2186389 0.69 NOS3 (0.33) NOS3NOS2
SCHEMBL21268410 0.68 MAPT (0.47) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL20526150 0.67 NOS3 (0.32) NOS3NOS2
SCHEMBL1787069 0.67 PLAU (0.33) ALDH1A1L3MBTL1ALOX15NOS3NOS2

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-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP claimed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US claimed