SCHEMBL903814

SCHEMBL903814

CC1(C)OB(c2ccc3c(c2)OC(c2cccc(Cl)c2)n2c-3cc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.32
LPL P06858 3/20 0.31
LIPG Q9Y5X9 3/20 0.31

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
SCHEMBL18057080 0.89 LPL (0.36) IRAK4LPLLIPG
SCHEMBL903402 0.89 LPL (0.36) IRAK4LPLLIPG
SCHEMBL19318922 0.85 LPL (0.36) EGFRLPLLIPG
SCHEMBL10215056 0.84 SNCA (0.31)
SCHEMBL10217790 0.82 SNCA (0.33) LPLLIPG
SCHEMBL19226001 0.81 LPL (0.31) LPLLIPG
SCHEMBL903693 0.80 EGFR (0.32) EGFRLPLLIPG
SCHEMBL18061906 0.80 ACLY (0.34) EGFRLPLLIPG
SCHEMBL15898090 0.79
SCHEMBL18957722 0.71 MAOB (0.40)

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-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed