SCHEMBL26229812

SCHEMBL26229812

CCC(CC)C(=O)Nc1ncnn2c([C@@H]3O[C@](C)(COC(=O)C(CC)CC)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ TMPRSS2 O15393 1/20 0.33
▸ DOT1L Q8TEK3 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
SCHEMBL25387491 0.87 TMPRSS2 (0.37) POLRMTTMPRSS2
SCHEMBL26230100 0.86 POLRMT (0.47) POLRMTDOT1L
SCHEMBL26229867 0.85 POLRMT (0.35) POLRMTTMPRSS2DOT1L
SCHEMBL26229875 0.80 TMPRSS2 (0.37) POLRMTTMPRSS2DOT1L
SCHEMBL26229868 0.79 POLRMT (0.34) POLRMTTMPRSS2
SCHEMBL25388197 0.79 TMPRSS2 (0.33) TMPRSS2
SCHEMBL26230611 0.78 POLRMT (0.46) POLRMTDOT1L
SCHEMBL26235345 0.77 LCK (0.35) POLRMTTMPRSS2
SCHEMBL26238995 0.77 POLRMT (0.48) POLRMTDOT1L
SCHEMBL26230093 0.77 POLRMT (0.48) POLRMTDOT1L

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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