SCHEMBL15819962

SCHEMBL15819962

COCC(NC(=O)O)C(=O)NCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN9A Q15858 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CTSS P25774 4/20 0.40
CTSK P43235 4/20 0.40
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.31
POLB P06746 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
SCHEMBL14141779 1.00 CA12 (0.42) CA12CA1CA2CA3CA4
SCHEMBL5074738 0.83 CTSS (0.42) CTSSCTSKKDM4EGAALMNA
SCHEMBL14142063 0.83 CTSS (0.42) CTSSCTSKKDM4EGAALMNA
SCHEMBL15833875 0.81 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL15833825 0.81 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL15820386 0.81 CTSS (0.40) CTSSCTSK
SCHEMBL5636045 0.80 CTSL (0.43) CTSSCTSKKDM4EGAACTSL
SCHEMBL5635654 0.80 CTSL (0.43) CTSSCTSKKDM4EGAACTSL
SCHEMBL15795581 0.80 CTSK (0.44) CTSSCTSKCTSL
SCHEMBL15826162 0.79 CTSS (0.39) CTSSCTSK

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-2014100206-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-26 WO disclosed