SCHEMBL8563948

SCHEMBL8563948

FC(F)(F)COc1c[c]ncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GPR3 P46089 1/20 0.37
SCN5A Q14524 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
CYP2C9 P11712 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PAX8 Q06710 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL3048497 0.76 APP (0.40) MAPTALDH1A1PDE10A
SCHEMBL601591 0.75 NISCH (0.35) MAPTGPR3SCN5ASMN1; SMN2CYP2C9
SCHEMBL2066513 0.75
SCHEMBL408187 0.74 ALDH1A1 (0.47) MAPTALDH1A1GPR3SCN5ASMN1; SMN2
Hydrochloric Acid SCHEMBL28121739 0.72 ALDH1A1 (0.45) MAPTALDH1A1GPR3SCN5ASMN1; SMN2
SCHEMBL970397 0.70 LMNA (0.48) MAPTSMN1; SMN2RAB9ACYP2C19LMNA
SCHEMBL8639905 0.70 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1173896 0.70 MAPT (0.40) MAPTALDH1A1GPR3SCN5ASMN1; SMN2
SCHEMBL3048803 0.70 APP (0.45) MAPT
SCHEMBL3052807 0.70 APP (0.45) MAPT

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