SCHEMBL26944453

SCHEMBL26944453

CCCC(CCC)C(=O)OC[C@H]1O[C@@](C)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ RIPK1 Q13546 6/20 0.33
▸ TMPRSS2 O15393 1/20 0.32
▸ MARS1 P56192 3/20 0.31
▸ DOT1L Q8TEK3 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
SCHEMBL26944457 0.93 POLRMT (0.33) POLRMTRIPK1TMPRSS2MARS1
SCHEMBL24312556 0.89 RIPK1 (0.34) POLRMTRIPK1TMPRSS2MARS1DOT1L
SCHEMBL25607769 0.88 RIPK1 (0.33) POLRMTRIPK1TMPRSS2MARS1DOT1L
SCHEMBL26944556 0.87 POLRMT (0.33) POLRMTRIPK1TMPRSS2DOT1L
SCHEMBL24917062 0.87 POLRMT (0.34) POLRMTRIPK1TMPRSS2DOT1L
SCHEMBL24312549 0.87 POLRMT (0.35) POLRMTRIPK1TMPRSS2DOT1L
SCHEMBL24312614 0.86 RIPK1 (0.33) POLRMTRIPK1TMPRSS2MARS1
SCHEMBL24312579 0.86 RIPK1 (0.33) POLRMTRIPK1TMPRSS2MARS1
SCHEMBL24312633 0.86 TMPRSS2 (0.46) POLRMTRIPK1TMPRSS2MARS1
SCHEMBL26149007 0.86 RIPK1 (0.30) RIPK1

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-2023239665-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS INCLUDING SARS-COV-2 GILEAD SCIENCES, INC. (US) 2023-12-14 — — WO disclosed
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