SCHEMBL10177809

SCHEMBL10177809

COc1cc(OCC(C)(C)C(=O)OCc2ccccc2)ccc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)cn1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.59

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
SCHEMBL9940345 0.87 DGAT1 (0.79) DGAT1
SCHEMBL9935600 0.83 DGAT1 (0.49) DGAT1
SCHEMBL9935598 0.81 DGAT1 (0.54) DGAT1
SCHEMBL15283166 0.80 DGAT1 (0.60) DGAT1
SCHEMBL10176519 0.79 DGAT1 (0.62) DGAT1
SCHEMBL9940381 0.75 DGAT1 (0.70) DGAT1
SCHEMBL9940406 0.75 DGAT1 (1.00) DGAT1
SCHEMBL9940532 0.74 DGAT1 (0.56) DGAT1
SCHEMBL15297160 0.73 DGAT1 (0.58) DGAT1
SCHEMBL16660754 0.73 DGAT1 (0.51) DGAT1

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-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed