SCHEMBL2543013

SCHEMBL2543013

COC(=O)C(n1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
DGAT1 O75907 1/20 0.41
USP30 Q70CQ3 2/20 0.33
UCHL1 P09936 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HIF1A Q16665 1/20 0.30
NR1I2 O75469 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL837310 0.86 FFAR1 (0.51) FFAR1DGAT1USP30AAK1F2
SCHEMBL3663499 0.84 FFAR1 (0.45) FFAR1DGAT1USP30UCHL1AAK1
SCHEMBL17815873 0.81 FFAR1 (0.45) FFAR1DGAT1UCHL1AAK1HIF1A
SCHEMBL17801161 0.78 FFAR1 (0.48) FFAR1DGAT1USP30UCHL1AAK1
SCHEMBL23303904 0.78 KMT2A (0.41) FFAR1DGAT1UCHL1F2F11
SCHEMBL28588606 0.77 FFAR1 (0.47) FFAR1DGAT1USP30UCHL1AAK1
SCHEMBL31489444 0.76 LPL (0.39) FFAR1DGAT1UCHL1F2F11
SCHEMBL17815975 0.75 FFAR1 (0.48) FFAR1DGAT1USP30UCHL1AAK1
SCHEMBL23389866 0.75 FFAR1 (0.46) FFAR1DGAT1USP30UCHL1AAK1
SCHEMBL18530443 0.75 FFAR1 (0.44) FFAR1DGAT1USP30UCHL1AAK1

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-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed