SCHEMBL482176

SCHEMBL482176

CC(C)(C)Cc1nn(C(=O)O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
DGAT1 O75907 1/20 0.31
UCHL1 P09936 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL370869 0.80 FFAR1 (0.36) FFAR1F2F11PRSS1PRSS2
SCHEMBL2209141 0.77 UCHL1 (0.34) FFAR1F2F11PRSS1PRSS2
SCHEMBL19207148 0.66 ALDH1A1 (0.37) FFAR1F2F11PRSS1PRSS2
SCHEMBL482174 0.66 USP30 (0.37) FFAR1DGAT1UCHL1PRMT5WDR77
SCHEMBL14656436 0.65 P4HB (0.38) FFAR1F2F11PRSS1PRSS2
SCHEMBL18013721 0.65 USP30 (0.36) FFAR1DGAT1UCHL1PRMT5WDR77
SCHEMBL31258155 0.65 USP30 (0.40) FFAR1DGAT1UCHL1PRMT5WDR77
SCHEMBL32684434 0.64 USP30 (0.36) FFAR1DGAT1UCHL1PRMT5WDR77
SCHEMBL680013 0.64 FFAR1 (0.52) FFAR1F2F11PRSS1PRSS2
SCHEMBL19441804 0.64 FFAR1 (0.36) FFAR1UCHL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed