SCHEMBL13817481

SCHEMBL13817481

C=C(C(=O)OCc1cccc(C(F)(F)F)c1Cl)C(O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.39
CTSA P10619 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4483012 0.90 MAOB (0.40) CTSAFFAR4NPC1RAB9A
SCHEMBL13817536 0.89 CTSA (0.39) P2RX7CTSAFFAR4NPC1RAB9A
SCHEMBL4498480 0.88 CASP1 (0.40) CTSA
SCHEMBL4495946 0.83 CASP1 (0.44) CTSA
SCHEMBL4492735 0.81 CASP1 (0.43) CTSA
SCHEMBL13817470 0.80 IDO1 (0.42) P2RX7CTSA
SCHEMBL13817540 0.80 NPC1 (0.39) CTSAFFAR4NPC1RAB9A
SCHEMBL13817480 0.79 CYP3A4 (0.42) P2RX7FFAR4
SCHEMBL4501790 0.78 L3MBTL1 (0.47) CTSAFFAR4NPC1RAB9A
SCHEMBL4484469 0.77 CNR2 (0.35) CTSANPC1RAB9A

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