SCHEMBL4258874

SCHEMBL4258874

COCOCc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
CXCR2 P25025 2/20 0.35
DGAT1 O75907 1/20 0.32

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
SCHEMBL3922689 0.87 LPL (0.40) LPLLIPGCXCR2DGAT1
SCHEMBL18343941 0.87 LPL (0.35) LPLLIPGCXCR2DGAT1
SCHEMBL30296064 0.84 LPL (0.38) LPLLIPGCXCR2DGAT1
SCHEMBL29543244 0.81 CXCR2 (0.40) LPLLIPGCXCR2
SCHEMBL23295322 0.81 CXCR2 (0.40) LPLLIPGCXCR2
SCHEMBL10213857 0.80 CXCR2 (0.41) LPLLIPGCXCR2
SCHEMBL599785 0.80 CA12 (0.30)
SCHEMBL24309534 0.77 LPL (0.37) LPLLIPGCXCR2DGAT1
SCHEMBL15328636 0.77 DGAT1 (0.45) LPLLIPGCXCR2DGAT1
SCHEMBL31163886 0.76 CXCR2 (0.33) LPLLIPGCXCR2

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
WO-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 WO disclosed