SCHEMBL10176820

SCHEMBL10176820

C=C(O)C(C)(C)COc1ccc(-c2ccc(-c3ncc(CCC(F)(F)F)[nH]3)cn2)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.82

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
SCHEMBL15293786 0.90 DGAT1 (1.00) DGAT1
SCHEMBL17772456 0.83 DGAT1 (0.82) DGAT1
SCHEMBL15293793 0.78 DGAT1 (1.00) DGAT1
SCHEMBL9940398 0.77 DGAT1 (1.00) DGAT1
SCHEMBL20428622 0.77 DGAT1 (0.61) DGAT1
SCHEMBL20428448 0.77 DGAT1 (0.61) DGAT1
SCHEMBL16661303 0.76 DGAT1 (0.83) DGAT1
SCHEMBL15293788 0.76 DGAT1 (1.00) DGAT1
SCHEMBL16787592 0.76 DGAT1 (0.82) DGAT1
SCHEMBL16649310 0.76 DGAT1 (1.00) 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