SCHEMBL20190511

SCHEMBL20190511

CCOC(=O)N(COCCCS(=O)(=O)NCCc1ccc(F)c(OCC(C)C)c1)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 5/20 0.36
▸ PPARG P37231 4/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL20190547 0.85 DUT (0.46) DUTSMN1; SMN2
SCHEMBL20188511 0.85 DUT (0.46) DUT
SCHEMBL22723299 0.84 DUT (0.49) DUT
SCHEMBL20190509 0.84 DUT (0.49) DUT
SCHEMBL22751590 0.78 DUT (0.49) DUT
SCHEMBL20190545 0.77 DUT (0.43) DUTSMN1; SMN2
SCHEMBL20188108 0.76 DUT (0.45) DUTPPARGPPARA
SCHEMBL20188149 0.74 DUT (0.45) DUTPPARGPPARA
SCHEMBL22723288 0.73 DUT (0.58) DUT
SCHEMBL20188508 0.73 DUT (0.58) 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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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