SCHEMBL13817519

SCHEMBL13817519

O=C(OCc1cccc(C(F)(F)F)c1)/C(=C\c1cccc(F)c1)C(O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
KCNA5 P22460 3/20 0.40
KCNH2 Q12809 1/20 0.40
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
MMP1 P03956 1/20 0.37
MMP12 P39900 1/20 0.37
THRB P10828 1/20 0.36
VNN1 O95497 1/20 0.36
TBXAS1 P24557 2/20 0.35
SGMS2 Q8NHU3 1/20 0.35
TBXA2R P21731 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SRPK3 Q9UPE1 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NAMPT P43490 1/20 0.35
NR4A2 P43354 1/20 0.35

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
SCHEMBL3112086 1.00 FFAR1 (0.40) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL13817525 0.94 FFAR1 (0.41) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL3400719 0.94 FFAR1 (0.41) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL13817520 0.92 FFAR1 (0.41) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL3112496 0.92 FFAR1 (0.41) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL3109506 0.92 FFAR1 (0.43) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL13817466 0.92 FFAR1 (0.43) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL13817518 0.90 FFAR1 (0.40) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL13817523 0.90 FFAR1 (0.40) FFAR1KCNA5KCNH2PRKCAPRKCD
SCHEMBL3092510 0.90 FFAR1 (0.40) FFAR1KCNA5KCNH2PRKCAPRKCD

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
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed