SCHEMBL20058601

SCHEMBL20058601

COC(=O)NCC(C)(C)C(=O)SCCO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL15634844 0.85 CYP4F2 (0.35)
SCHEMBL20058663 0.84
SCHEMBL20058655 0.83 EPHX1 (0.36) TDP1EPHX1
SCHEMBL10018282 0.81 SMN1; SMN2 (0.32)
SCHEMBL17410559 0.73 TDP1 (0.33) TDP1
SCHEMBL2514266 0.73 TDP1 (0.35) TDP1
SCHEMBL15612820 0.73
SCHEMBL10018307 0.72 KMT2A (0.47) TDP1
SCHEMBL10018290 0.71 TDP1 (0.33) TDP1
SCHEMBL12149865 0.71 RIPK1 (0.31) TDP1

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
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 EP disclosed