SCHEMBL26944457

SCHEMBL26944457

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.33
▸ TMPRSS2 O15393 1/20 0.33
▸ RIPK1 Q13546 3/20 0.32
▸ MARS1 P56192 2/20 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
SCHEMBL26944453 0.93 POLRMT (0.34) POLRMTTMPRSS2RIPK1MARS1
SCHEMBL24312556 0.91 RIPK1 (0.34) POLRMTTMPRSS2RIPK1MARS1
SCHEMBL24917062 0.89 POLRMT (0.34) POLRMTTMPRSS2RIPK1
SCHEMBL24312549 0.89 POLRMT (0.35) POLRMTTMPRSS2RIPK1
SCHEMBL24312614 0.88 RIPK1 (0.33) POLRMTTMPRSS2RIPK1MARS1
SCHEMBL24312579 0.88 RIPK1 (0.33) POLRMTTMPRSS2RIPK1MARS1
SCHEMBL26212605 0.88 RIPK1 (0.32) POLRMTTMPRSS2RIPK1
SCHEMBL26212617 0.88 RIPK1 (0.32) POLRMTTMPRSS2RIPK1
SCHEMBL24791044 0.87 POLRMT (0.33) POLRMTTMPRSS2RIPK1MARS1
SCHEMBL24791043 0.87 POLRMT (0.33) POLRMTTMPRSS2RIPK1MARS1

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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