SCHEMBL20169382

SCHEMBL20169382

CS(C)(C)CCOCn1cc(C(F)(F)C(F)(F)F)nc1-c1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.43
PTGS2 P35354 1/20 0.32

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
SCHEMBL20169318 0.92 DGAT1 (0.52) DGAT1PTGS2
SCHEMBL15293919 0.87 DGAT1 (0.59) DGAT1
SCHEMBL20169374 0.86 DGAT1 (0.47) DGAT1PTGS2
SCHEMBL20169372 0.83 DGAT1 (0.62) DGAT1PTGS2
SCHEMBL20169395 0.82 DGAT1 (0.39) DGAT1
SCHEMBL20169396 0.81 DGAT1 (0.39) DGAT1
SCHEMBL20169365 0.81 DGAT1 (0.38) DGAT1
SCHEMBL20169369 0.80 DGAT1 (0.38) DGAT1PTGS2
SCHEMBL17772446 0.80 DGAT1 (0.54) DGAT1PTGS2
SCHEMBL10176678 0.79 DGAT1 (0.47) DGAT1PTGS2

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