SCHEMBL15748671

SCHEMBL15748671

COC(=O)CC1(CC(F)(F)F)CCc2cc(C#N)ccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.48
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL15743107 0.91 DGAT1 (0.46) DGAT1
SCHEMBL15748616 0.86 DGAT1 (0.47) DGAT1BACE1SMN1; SMN2
SCHEMBL17195459 0.85 DGAT1 (0.52) DGAT1BACE1SMN1; SMN2
SCHEMBL17211841 0.85 DGAT1 (0.52) DGAT1BACE1SMN1; SMN2
SCHEMBL15690662 0.85 DGAT1 (0.52) DGAT1BACE1SMN1; SMN2
SCHEMBL14137124 0.85 DGAT1 (0.52) DGAT1BACE1SMN1; SMN2
SCHEMBL15748678 0.83 DGAT1 (0.50) DGAT1BACE1SMN1; SMN2
SCHEMBL15748677 0.82 DGAT1 (0.49) DGAT1BACE1SMN1; SMN2
SCHEMBL15748623 0.82 DGAT1 (0.49) DGAT1BACE1SMN1; SMN2
SCHEMBL15691860 0.81 DGAT1 (0.50) DGAT1BACE1SMN1; SMN2

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-2014081995-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-30 WO disclosed