SCHEMBL10176519

SCHEMBL10176519

CCc1cc(OCC(C)(C)C(=O)OC)ccc1-c1ccc(-c2nc(C(F)(F)F)c[nH]2)cn1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.62

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
SCHEMBL15293764 0.81 DGAT1 (0.57) DGAT1
SCHEMBL10177809 0.79 DGAT1 (0.59) DGAT1
SCHEMBL9940532 0.79 DGAT1 (0.56) DGAT1
SCHEMBL15297160 0.78 DGAT1 (0.58) DGAT1
SCHEMBL9940381 0.78 DGAT1 (0.70) DGAT1
SCHEMBL10177796 0.78 DGAT1 (0.61) DGAT1
SCHEMBL9936619 0.77 DGAT1 (0.64) DGAT1
Potassium Ion SCHEMBL9940266 0.77 DGAT1 (0.59) DGAT1
SCHEMBL9940547 0.77 DGAT1 (1.00) DGAT1
SCHEMBL20169376 0.77 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