SCHEMBL20169359

SCHEMBL20169359

COC(O)C(C)(C)COc1cc(C)c(-c2ccc(C(=N)NO)c(F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.42
AAK1 Q2M2I8 2/20 0.41

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
SCHEMBL9937174 0.85 DGAT1 (0.50) DGAT1
SCHEMBL16787924 0.76 DGAT1 (0.45) DGAT1AAK1
SCHEMBL10176498 0.74 DGAT1 (0.51) DGAT1
SCHEMBL16661142 0.74 DGAT1 (0.49) DGAT1AAK1
SCHEMBL16787902 0.73 DGAT1 (0.39) DGAT1AAK1
Acetic Acid SCHEMBL9936352 0.72 DGAT1 (0.51) DGAT1
SCHEMBL16787542 0.72 DGAT1 (0.52) DGAT1
SCHEMBL21064881 0.69 DGAT1 (0.46) DGAT1AAK1
SCHEMBL20428831 0.68 DGAT1 (0.48) DGAT1
SCHEMBL10176825 0.67 DGAT1 (0.54) 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