SCHEMBL10176646

SCHEMBL10176646

Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2CO)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.63

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
SCHEMBL15282971 0.88 DGAT1 (0.62) DGAT1
SCHEMBL15283043 0.82 DGAT1 (0.74) DGAT1
SCHEMBL9936877 0.81 DGAT1 (0.64) DGAT1
SCHEMBL10177255 0.80 DGAT1 (0.55) DGAT1
SCHEMBL9936539 0.80 DGAT1 (0.57) DGAT1
SCHEMBL20169391 0.79 DGAT1 (0.56) DGAT1
SCHEMBL9940486 0.78 DGAT1 (1.00) DGAT1
SCHEMBL20169366 0.76 DGAT1 (0.55) DGAT1
SCHEMBL9936126 0.76 DGAT1 (0.55) DGAT1
SCHEMBL16787757 0.76 DGAT1 (0.71) 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