SCHEMBL19088926

SCHEMBL19088926

CN[C@H]1COCCCC(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL19089076 0.83 CA1 (0.31) CA1CA9
SCHEMBL19084193 0.79 CA1 (0.38) CA1CA9
SCHEMBL19091640 0.76 CA1 (0.35) CA1CA9
SCHEMBL19089217 0.75 GAA (0.50) CA1
SCHEMBL19088928 0.66 CA1 (0.59) CA1CA9
SCHEMBL2057728 0.65
SCHEMBL2057729 0.65
SCHEMBL2058090 0.65
SCHEMBL2724285 0.64 CA1 (0.44) CA1CA9
SCHEMBL14196701 0.63

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017116949-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 WO disclosed