SCHEMBL4489548

SCHEMBL4489548

C=C(C(=O)OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1)C(O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
MGLL Q99685 6/20 0.45
FAAH O00519 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
SCN9A Q15858 6/20 0.42
LIPE Q05469 1/20 0.42
FFAR1 O14842 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4503616 0.90 LIPE (0.50) SCN9ALIPE
SCHEMBL4499433 0.88 FAAH (0.40) MGLLFAAHSCN9ALIPEFFAR1
SCHEMBL4489606 0.85 MAPK1 (0.45) MAPK1MGLLFAAHMRGPRX4SCN9A
SCHEMBL3101778 0.85 FAAH (0.49) MAPK1MGLLFAAHMRGPRX4FFAR1
SCHEMBL4498270 0.84 FFAR1 (0.41) MRGPRX4FFAR1
SCHEMBL13817512 0.81 FFAR1 (0.39) MRGPRX4FFAR1
SCHEMBL3111661 0.75 LIPE (0.47) MGLLSCN9ALIPEFFAR1
SCHEMBL4491357 0.75 FFAR1 (0.40) MRGPRX4SCN9AFFAR1
SCHEMBL13817535 0.74 NPSR1 (0.44) FAAHGAA
SCHEMBL3103227 0.73 FAAH (0.47) FAAH

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 4 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
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO disclosed