SCHEMBL20188108

SCHEMBL20188108

CCOC(=O)N(COCCCS(=O)(=O)NCCc1cccc(OCC2CC2)c1)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 10/20 0.45
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ CYP2D6 P10635 5/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ KCNH2 Q12809 2/20 0.37

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
SCHEMBL20188149 0.88 DUT (0.45) DUTPPARGPPARACYP2D6MTNR1A
SCHEMBL20188105 0.83 DUT (0.55) DUT
SCHEMBL22723308 0.83 DUT (0.55) DUT
SCHEMBL20188511 0.83 DUT (0.46) DUT
SCHEMBL22751570 0.77 DUT (0.55) DUT
SCHEMBL20190547 0.77 DUT (0.46) DUTKCNH2
SCHEMBL21643788 0.77 DUT (0.54) DUT
SCHEMBL21643786 0.77 DUT (0.54) DUT
SCHEMBL20188079 0.76 DUT (0.47) DUTCYP2D6MTNR1AKCNH2
SCHEMBL20190511 0.76 DUT (0.36) DUTPPARGPPARA

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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