SCHEMBL20169337

SCHEMBL20169337

CC(C)(COc1ccc(-c2ccc(-c3nc(C(F)(F)F)cn3COCCS(C)(C)C)cn2)cn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.51
SOAT1 P35610 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL20169363 0.93 DGAT1 (0.49) DGAT1
SCHEMBL20169343 0.93 DGAT1 (0.53) DGAT1
SCHEMBL15282991 0.89 DGAT1 (0.61) DGAT1
SCHEMBL20169311 0.87 DGAT1 (0.48) DGAT1
SCHEMBL20169336 0.84 DGAT1 (0.63) DGAT1
SCHEMBL20169383 0.84 DGAT1 (0.51) DGAT1
SCHEMBL20169312 0.83 DGAT1 (0.53) DGAT1
SCHEMBL20169357 0.82 DGAT1 (0.49) DGAT1
SCHEMBL20169313 0.82 DGAT1 (0.54) DGAT1KCNH2
SCHEMBL9936294 0.82 DGAT1 (0.60) 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