SCHEMBL17899017

SCHEMBL17899017

COc1ccc(CO[C@H]2[C@H](C)OC(=O)[C@@H](NC(=O)c3nccc(OC)c3O)CCOC[C@@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.34
KMT2A Q03164 3/20 0.33
CSF1R P07333 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE1C Q14123 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
PDE9A O76083 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
SCHEMBL17898874 0.88 HPGDS (0.32) HPGDSKMT2A
SCHEMBL19628447 0.88 MERTK (0.36) KMT2AMEN1CYP1A2
SCHEMBL17898752 0.87 LRRK2 (0.35)
SCHEMBL15373806 0.86 MERTK (0.38) CYP1A2
SCHEMBL15366475 0.86 MERTK (0.38) CYP1A2
SCHEMBL15366755 0.86 MERTK (0.38) CYP1A2
SCHEMBL15373755 0.86 MERTK (0.38) CYP1A2
SCHEMBL15373805 0.86 MERTK (0.38) CYP1A2
SCHEMBL19099485 0.86 NPC1 (0.36) CSF1RKDM4EASPHKDM8
SCHEMBL19066608 0.86 NPC1 (0.36) CSF1RKDM4EASPHKDM8

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