SCHEMBL21985407

SCHEMBL21985407

CC(C)C[C@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CTSK P43235 4/20 0.48
▸ CTSL P07711 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CAPN1 P07384 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GLS O94925 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL21985743 0.88 CA1 (0.42) CA1CA2CA7CTSKCTSL
SCHEMBL25022399 0.88 CA1 (0.42) CA1CA2CA7CTSKCTSL
SCHEMBL15014015 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL15511851 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL28078949 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL15511852 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL15014014 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL19209613 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL16654059 0.87 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL21986115 0.85 CA1 (0.45) CA1CA2CA7CTSKCTSL

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
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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