SCHEMBL20135847

SCHEMBL20135847

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

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.44
▸ POLRMT O00411 1/20 0.33
▸ RIPK1 Q13546 5/20 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
SCHEMBL20135845 1.00 TMPRSS2 (0.44) TMPRSS2POLRMTRIPK1
SCHEMBL17712216 0.93 TMPRSS2 (0.42) TMPRSS2POLRMTRIPK1
SCHEMBL23711118 0.93 TMPRSS2 (0.42) TMPRSS2POLRMTRIPK1
SCHEMBL18666880 0.92 TMPRSS2 (0.41) TMPRSS2POLRMTRIPK1
SCHEMBL25512406 0.92 TMPRSS2 (0.41) TMPRSS2POLRMTRIPK1
SCHEMBL17712282 0.92 TMPRSS2 (0.41) TMPRSS2POLRMTRIPK1
SCHEMBL22342702 0.91 TMPRSS2 (0.41) TMPRSS2POLRMT
SCHEMBL22342701 0.91 TMPRSS2 (0.41) TMPRSS2POLRMT
SCHEMBL20550745 0.90 TMPRSS2 (0.40) TMPRSS2POLRMTRIPK1
SCHEMBL18605958 0.90 TMPRSS2 (0.40) TMPRSS2POLRMTRIPK1

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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