SCHEMBL8153396

SCHEMBL8153396

CC(=O)c1nccc(OCC(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NUDT1 P36639 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
SORD Q00796 1/20 0.37
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGDS O60760 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
MAPT P10636 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KMO O15229 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL8568879 0.82 NUDT1 (0.39) L3MBTL1NUDT1SMN1; SMN2EPHX2POLB
SCHEMBL882972 0.80 MAPK8 (0.47) L3MBTL1SMN1; SMN2SORDRAB9AMAPT
SCHEMBL882971 0.76 MTNR1A (0.47) SORDPOLBHCRTR1HCRTR2KMO
SCHEMBL31403767 0.76 MTNR1A (0.47) SORDPOLBHCRTR1HCRTR2KMO
SCHEMBL17379 0.76 L3MBTL1 (0.36) L3MBTL1NUDT1SMN1; SMN2EPHX2HPGDS
SCHEMBL17377 0.76 POLB (0.40) L3MBTL1NUDT1SMN1; SMN2EPHX2POLB
SCHEMBL17378 0.76 POLB (0.40) L3MBTL1NUDT1SMN1; SMN2EPHX2POLB
SCHEMBL30403546 0.75 EPHX2 (0.52) L3MBTL1SMN1; SMN2EPHX2POLBMAPK1
SCHEMBL2714731 0.75 CNR2 (0.47) L3MBTL1EPHX2POLBMAPK1HPGDS
SCHEMBL2713663 0.75 EPHX2 (0.52) L3MBTL1SMN1; SMN2EPHX2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3112479-B2 2000-11-27 JP claimed
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
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP claimed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO claimed
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5439910-A For applying to plants, seeds or soils ZENECA LIMITED (GB) 1995-08-08 US disclosed
EP-0586393-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1994-03-16 EP disclosed
WO-1992018487-A1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LIMITED (GB) 1992-10-29 WO disclosed