SCHEMBL20169368

SCHEMBL20169368

CS(C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.46
PTGS2 P35354 13/20 0.36
PTGS1 P23219 5/20 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
SCHEMBL20169365 0.92 DGAT1 (0.38) DGAT1
SCHEMBL20169325 0.91 DGAT1 (0.47) DGAT1PTGS2PTGS1
SCHEMBL20169380 0.90 DGAT1 (0.46) DGAT1PTGS2PTGS1
SCHEMBL20169324 0.89 DGAT1 (0.45) DGAT1PTGS2PTGS1
SCHEMBL20169378 0.88 DGAT1 (0.45) DGAT1PTGS2PTGS1
SCHEMBL9940256 0.86 DGAT1 (0.62) DGAT1PTGS2PTGS1
SCHEMBL17772387 0.86 DGAT1 (0.43) DGAT1PTGS2
SCHEMBL20169321 0.85 DGAT1 (0.56) DGAT1PTGS2PTGS1
SCHEMBL20169393 0.84 DGAT1 (0.47) DGAT1PTGS2PTGS1
SCHEMBL20169361 0.83 DGAT1 (0.48) 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