SCHEMBL17898752

SCHEMBL17898752

COc1ccnc(C(=O)N[C@H]2COCC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
MERTK Q12866 2/20 0.34
AXL P30530 1/20 0.34
NAAA Q02083 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAS1R2 Q8TE23 1/20 0.32
BRD4 O60885 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL19091129 0.95 MERTK (0.35) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL15373805 0.93 MERTK (0.38) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL15373755 0.93 MERTK (0.38) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL15366475 0.93 MERTK (0.38) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL15366755 0.93 MERTK (0.38) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL15373806 0.93 MERTK (0.38) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL19628447 0.90 MERTK (0.36) LRRK2MERTKAXLNAAAPSEN1
SCHEMBL17899020 0.90 TAS1R3 (0.37) MERTKAXLNAAATAS1R3TAS1R1
SCHEMBL15844257 0.90 TAS1R3 (0.37) MERTKAXLNAAATAS1R3TAS1R1
SCHEMBL17899006 0.88 LRRK2 (0.32) LRRK2MERTKAXLNAAACNR1

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-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed