SCHEMBL13817540

SCHEMBL13817540

C=C(C(=O)OCc1cc(C(F)(F)F)ccc1Cl)C(O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSA P10619 4/20 0.38
ABL1 P00519 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MRGPRX4 Q96LA9 9/20 0.37
CNR2 P34972 1/20 0.36
DDR1 Q08345 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL13817537 0.89 CTSA (0.45) NPC1RAB9ACTSAFFAR1MRGPRX4
SCHEMBL4484469 0.87 CNR2 (0.35) NPC1RAB9ACTSAFFAR1MRGPRX4
SCHEMBL4495946 0.83 CASP1 (0.44) CTSAMAPT
SCHEMBL4506759 0.83 FFAR1 (0.43) NPC1RAB9ACTSAFFAR1MAPT
SCHEMBL13817470 0.82 IDO1 (0.42) CTSAFFAR1CNR2
SCHEMBL4501790 0.82 L3MBTL1 (0.47) NPC1RAB9ACTSAFFAR1FFAR4
SCHEMBL4492426 0.81 FFAR1 (0.39) NPC1RAB9ACTSAFFAR1MRGPRX4
SCHEMBL13817481 0.80 P2RX7 (0.39) NPC1RAB9ACTSAFFAR4
SCHEMBL4499435 0.79 FFAR1 (0.39) NPC1RAB9AFFAR1MRGPRX4CNR2
SCHEMBL4483012 0.79 MAOB (0.40) NPC1RAB9ACTSAFFAR1FFAR4

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