SCHEMBL26235336

SCHEMBL26235336

C[C@@]1(COC(=O)OC2CCOCC2)CC[C@H](c2ccc3c(N)ncnn23)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ PIK3CD O00329 15/20 0.33
▸ CCR5 P51681 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2A1 P68400 1/20 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
SCHEMBL26235390 0.93 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235392 0.92 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235397 0.92 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235613 0.91 POLRMT (0.36) POLRMTDOT1L
SCHEMBL26235249 0.88 POLRMT (0.37) POLRMTPIK3CDCSNK2A2CSNK2A1DOT1L
SCHEMBL26235537 0.85 POLRMT (0.36) POLRMTDOT1L
SCHEMBL26832526 0.84 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235533 0.84 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235338 0.84 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235609 0.83 POLRMT (0.34) 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-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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