SCHEMBL20169346

SCHEMBL20169346

CCC(CC)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCCS(C)(C)C)cn2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.52

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
SCHEMBL20169350 0.92 DGAT1 (0.53) DGAT1
SCHEMBL15282965 0.89 DGAT1 (0.61) DGAT1
SCHEMBL20169336 0.86 DGAT1 (0.63) DGAT1
SCHEMBL20169329 0.84 DGAT1 (0.55) DGAT1
SCHEMBL20169356 0.83 DGAT1 (0.51) DGAT1
SCHEMBL20169383 0.83 DGAT1 (0.51) DGAT1
SCHEMBL20169313 0.83 DGAT1 (0.54) DGAT1
SCHEMBL20169337 0.82 DGAT1 (0.51) DGAT1
SCHEMBL20169312 0.82 DGAT1 (0.53) DGAT1
SCHEMBL15283035 0.82 DGAT1 (0.66) 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
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed