SCHEMBL17898696

SCHEMBL17898696

CCCCO[C@H]1[C@H](C)OC=C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.47
GBA1 P04062 5/20 0.42

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
SCHEMBL12634212 0.81 GBA1 (0.41) FUCA1GBA1
SCHEMBL17266722 0.81 FUCA1 (0.46) FUCA1GBA1
SCHEMBL15861023 0.81 GBA1 (0.35) FUCA1GBA1
SCHEMBL12310110 0.81 GBA1 (0.35) FUCA1GBA1
SCHEMBL12634055 0.79 GBA1 (0.39) FUCA1GBA1
SCHEMBL17266713 0.77 GBA1 (0.33) GBA1
SCHEMBL17898695 0.75 ALDH1A1 (0.36) FUCA1GBA1
SCHEMBL16379577 0.74 ALDH1A1 (0.42) FUCA1GBA1
SCHEMBL19432950 0.74 FUCA1 (0.58) FUCA1
SCHEMBL16155804 0.72 GBA1 (0.33) GBA1

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