SCHEMBL20169376

SCHEMBL20169376

CCc1cc(OCC(C)(C)C(=O)OC)ccc1-c1ccc(-c2nc(C(F)(F)F)cn2COCCS(C)(C)C)cn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.51
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 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
SCHEMBL9936619 0.91 DGAT1 (0.64) DGAT1
SCHEMBL20169336 0.89 DGAT1 (0.63) DGAT1
SCHEMBL20169343 0.85 DGAT1 (0.53) DGAT1PTGS1PTGS2
SCHEMBL20169345 0.84 DGAT1 (0.53) DGAT1
SCHEMBL20169344 0.84 DGAT1 (0.50) DGAT1
SCHEMBL20169350 0.83 DGAT1 (0.53) DGAT1PTGS1PTGS2
SCHEMBL20169319 0.82 DGAT1 (0.51) DGAT1PTGS1PTGS2
SCHEMBL20169316 0.82 DGAT1 (0.46) DGAT1
SCHEMBL20169311 0.81 DGAT1 (0.48) DGAT1PTGS1PTGS2
SCHEMBL9940133 0.79 DGAT1 (0.79) 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