SCHEMBL16554170

SCHEMBL16554170

CC#Cc1cc(F)c(C(C(=O)OC)C(=O)OC)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.34
FFAR1 O14842 1/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
BACE1 P56817 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
STAT3 P40763 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL16554306 0.84 ACACB (0.38) ACACBLMNAMAPK1HTTMAPT
SCHEMBL16554601 0.77 ERN1 (0.37) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL16585783 0.76 TAS1R3 (0.31) MAPK1TAS1R3TAS1R1
SCHEMBL19825663 0.74 ACACB (0.33) ACACBFFAR1TAS1R3TAS1R1
SCHEMBL16553981 0.72 ACACB (0.34) ACACBFFAR1BACE1PTGESALOX5
SCHEMBL16554038 0.71 ACACB (0.38) ACACBLMNAHTT
SCHEMBL16562481 0.70 PIM1 (0.37) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL16553957 0.70 FFAR1 (0.40) ACACBFFAR1RAB9ALMNAMAPK1
SCHEMBL3686370 0.70 MAPK1 (0.36) RAB9AMAPK1NPC1POLB
SCHEMBL16554060 0.69 FFAR1 (0.34) ACACBFFAR1RAB9ALMNAMAPK1

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
WO-2015032702-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL- PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-12 WO disclosed
WO-2015032702-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL- PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-12 WO disclosed