SCHEMBL14816997

SCHEMBL14816997

CC(C)OC(=O)[C@H](C)NP(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.32
▸ RIPK1 Q13546 5/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL15580648 0.92 RIPK1 (0.32) RIPK1
SCHEMBL10120472 0.86 CYP3A4 (0.45) TMPRSS2RIPK1
SCHEMBL18293558 0.86 CYP3A4 (0.45) TMPRSS2RIPK1
SCHEMBL10142516 0.86 CYP3A4 (0.45) TMPRSS2RIPK1
SCHEMBL17452401 0.84 BTN3A1 (0.38) TMPRSS2RIPK1
SCHEMBL10142778 0.83 TMPRSS2 (0.34) TMPRSS2
SCHEMBL15580717 0.81 RIPK1 (0.32) TMPRSS2RIPK1
SCHEMBL15340437 0.80 CYP3A4 (0.39) TMPRSS2RIPK1
SCHEMBL10142564 0.80 CYP3A4 (0.39) TMPRSS2RIPK1
SCHEMBL14681865 0.80 TMPRSS2 (0.34) TMPRSS2PRMT5WDR77

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-2013040492-A2 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-03-21 — — WO disclosed
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