SCHEMBL860835

SCHEMBL860835

CC1(C)OB(c2cnn(C(=O)OBO)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
DGAT1 O75907 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
USP30 Q70CQ3 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
UCHL1 P09936 1/20 0.31
P4HB P07237 1/20 0.30

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
SCHEMBL29071418 0.85 FFAR1 (0.49) FFAR1DGAT1USP30CA1CA2
SCHEMBL1269464 0.84 FFAR1 (0.47) FFAR1DGAT1USP30
SCHEMBL1650157 0.82 FFAR1 (0.50) FFAR1DGAT1IRAK4USP30CA1
SCHEMBL141413 0.81 FFAR1 (0.52) FFAR1DGAT1USP30CA1CA2
SCHEMBL14654744 0.80 FFAR1 (0.52) FFAR1DGAT1IRAK4USP30CA1
SCHEMBL680013 0.80 FFAR1 (0.52) FFAR1DGAT1IRAK4CA1CA2
SCHEMBL29108989 0.79 FFAR1 (0.51) FFAR1DGAT1IRAK4CA1CA2
SCHEMBL381301 0.78 FFAR1 (0.46) FFAR1DGAT1USP30UCHL1
SCHEMBL17165884 0.77 FFAR1 (0.45) FFAR1DGAT1UCHL1
SCHEMBL13412136 0.76 FFAR1 (0.49) FFAR1DGAT1IRAK4USP30CA1

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-2432771-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed