SCHEMBL20135819

SCHEMBL20135819

CCC(CC)COC(=O)C(C)N[PH](=O)Oc1ccccc1OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40

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
SCHEMBL17712236 0.90 TMPRSS2 (0.39) TMPRSS2
SCHEMBL17712275 0.90 TMPRSS2 (0.39) TMPRSS2
SCHEMBL18636437 0.90 TMPRSS2 (0.43) TMPRSS2
SCHEMBL26295060 0.87 TMPRSS2 (0.43) TMPRSS2
SCHEMBL17712233 0.86 TMPRSS2 (0.39) TMPRSS2
SCHEMBL23910138 0.84 TMPRSS2 (0.38) TMPRSS2
SCHEMBL25610409 0.84 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30118447 0.84 TMPRSS2 (0.39) TMPRSS2
SCHEMBL30118449 0.84 TMPRSS2 (0.39) TMPRSS2
SCHEMBL23697319 0.83 TMPRSS2 (0.43) TMPRSS2

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-3212174-B1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2018-05-16 — — EP disclosed
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