SCHEMBL17459442

SCHEMBL17459442

CC[N+]1([O-])Cc2ccccc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 11/20 0.35
MAOB P27338 3/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP19A1 P11511 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LDHA P00338 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
SCHEMBL17468768 0.87 FFAR1 (0.35) ARLDHA
SCHEMBL17469074 0.81 KDM4E (0.33) GUSBL3MBTL4L3MBTL1MAOBMAPT
SCHEMBL17469010 0.81 GUSB (0.35) GUSBL3MBTL4L3MBTL1
SCHEMBL17459366 0.80
SCHEMBL17469017 0.78 KDM1A (0.36) LTA4HMAOBMAPT
SCHEMBL17468781 0.77 GUSB (0.36) GUSBL3MBTL4L3MBTL1LTA4HMAOB
SCHEMBL17469075 0.75 GUSB (0.35) GUSB
SCHEMBL17459409 0.72 SLC6A2 (0.40) GUSBL3MBTL4L3MBTL1LTA4H
SCHEMBL17459374 0.69 SLC6A2 (0.56) GUSBL3MBTL4L3MBTL1LTA4HMAOB
SCHEMBL11048736 0.69 ESR1 (0.54) GUSBL3MBTL4L3MBTL1MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed