SCHEMBL20187745

SCHEMBL20187745

O=C1CC[C@@H](C/C=C/CCS(=O)(=O)NCCCc2ccc(F)c(OCC3CC3)c2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DUT P33316 19/20 0.46

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
SCHEMBL20190697 0.87 DUT (0.50) DUT
SCHEMBL20187932 0.82 DUT (0.52) DUT
SCHEMBL18374039 0.82 DUT (0.44) DUT
SCHEMBL18374484 0.82 DUT (0.44) DUT
SCHEMBL18374229 0.82 DUT (0.44) DUT
SCHEMBL18374245 0.80 DUT (0.66) DUT
SCHEMBL21315536 0.80 DUT (0.58) DUT
SCHEMBL20560533 0.80 DUT (0.66) DUT
SCHEMBL20191198 0.80 DUT (0.58) DUT
SCHEMBL18374052 0.80 DUT (0.66) DUT

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
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed