SCHEMBL16014576

SCHEMBL16014576

CC(C)Oc1cc(OC(=O)O)n(-c2ncccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 2/20 0.36
GCK P35557 5/20 0.35
TRPV1 Q8NER1 2/20 0.35
KCNH2 Q12809 3/20 0.35
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
MCTS1 Q9ULC4 1/20 0.33
MALT1 Q9UDY8 1/20 0.33

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
SCHEMBL16014742 0.89 TRPA1 (0.36) TRPA1MAPTTRPV1MALT1
SCHEMBL16014804 0.87 MALT1 (0.39) TRPA1TRPV1SLC16A3SLC16A1MALT1
SCHEMBL16014506 0.85 NPC1 (0.39) TRPA1KDM4ETRPV1SLC16A3SLC16A1
SCHEMBL16014575 0.84 ALDH1A1 (0.39) TRPA1KDM4EPOLBMAPTNPSR1
SCHEMBL16014768 0.82 TRPA1 (0.37) TRPA1TRPV1SLC16A3SLC16A1MALT1
SCHEMBL4347866 0.80 MALT1 (0.39) TRPA1TRPV1SLC16A3SLC16A1MALT1
SCHEMBL16014859 0.80 TRPA1 (0.41) TRPA1TRPV1MALT1
SCHEMBL16014572 0.79 TRPA1 (0.37) TRPA1TRPV1MALT1
SCHEMBL15361834 0.78 SLC16A3 (0.39) TRPA1TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL16014772 0.77 SLC16A3 (0.38) TRPA1TRPV1SLC16A3SLC16A1MCTS1

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
EP-2964629-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-01-13 EP disclosed
WO-2014135588-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-09-12 WO disclosed