SCHEMBL17898780

SCHEMBL17898780

CCCO[C@H]1COCC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)O[C@@H](C)[C@@H]1Oc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.30
TRPC6 Q9Y210 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
SCHEMBL17899026 0.95 HPGDS (0.31) HPGDS
SCHEMBL15373942 0.94
SCHEMBL17898803 0.92 HPGDS (0.33) HPGDS
SCHEMBL17898773 0.91 HPGDS (0.33) HPGDS
SCHEMBL17899027 0.91 RIPK1 (0.30) HPGDS
SCHEMBL15861097 0.91 TAS1R3 (0.34) HPGDSTRPC6
SCHEMBL17898689 0.91 TAS1R3 (0.34) HPGDSTRPC6
SCHEMBL17898671 0.89
SCHEMBL15373944 0.88 RIPK1 (0.30)
SCHEMBL19628458 0.88 RIPK1 (0.33)

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