SCHEMBL17898692

SCHEMBL17898692

CC[C@H]1CCOC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)O[C@@H](C)[C@@H]1OCC(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.30
CTSK P43235 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
SCHEMBL17898887 0.91 HPGDS (0.31) HPGDS
SCHEMBL17898782 0.91 RIPK1 (0.33)
SCHEMBL16605217 0.90 TAS1R3 (0.32)
SCHEMBL19088927 0.89 TAS1R3 (0.33) HPGDS
SCHEMBL19091508 0.88 PDE4D (0.33) CTSK
SCHEMBL17898779 0.88
SCHEMBL17899025 0.88 HPGDS (0.31) HPGDSCTSK
SCHEMBL16603781 0.88
SCHEMBL17903373 0.88 BCL2 (0.31) HPGDS
SCHEMBL17899031 0.87 HPGDS (0.31) HPGDS

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