SCHEMBL20169321

SCHEMBL20169321

CS(C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.56
PTGS2 P35354 13/20 0.40
PTGS1 P23219 6/20 0.38

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
SCHEMBL20169374 0.91 DGAT1 (0.47) DGAT1PTGS2PTGS1
SCHEMBL20169390 0.88 DGAT1 (0.52) DGAT1PTGS2PTGS1
SCHEMBL20169333 0.87 DGAT1 (0.74) DGAT1PTGS2PTGS1
SCHEMBL20169318 0.85 DGAT1 (0.52) DGAT1PTGS2PTGS1
SCHEMBL20169325 0.85 DGAT1 (0.47) DGAT1PTGS2PTGS1
SCHEMBL20169380 0.85 DGAT1 (0.46) DGAT1PTGS2PTGS1
SCHEMBL20169368 0.85 DGAT1 (0.46) DGAT1PTGS2PTGS1
SCHEMBL9936783 0.84 DGAT1 (0.77) DGAT1PTGS2PTGS1
SCHEMBL20169324 0.84 DGAT1 (0.45) DGAT1PTGS2PTGS1
SCHEMBL20169375 0.84 DGAT1 (0.52) DGAT1PTGS2PTGS1

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