SCHEMBL26240577

SCHEMBL26240577

CC(C)OC(=O)OC1[C@@]2(C)O[C@@H](c3ccc4c(N)ncnn34)[C@H](O)[C@@]12O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.39
▸ DOT1L Q8TEK3 2/20 0.33
▸ RIPK1 Q13546 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ PIK3CD O00329 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
SCHEMBL26241444 0.88 POLRMT (0.39) POLRMTDOT1LRIPK1
SCHEMBL26229927 0.87 POLRMT (0.41) POLRMTDOT1LRIPK1STING1PIK3CD
SCHEMBL26239930 0.87 POLRMT (0.39) POLRMTDOT1LRIPK1STING1PIK3CD
SCHEMBL26229924 0.86 POLRMT (0.40) POLRMTDOT1LRIPK1PIK3CD
SCHEMBL26229814 0.85 POLRMT (0.39) POLRMTDOT1LRIPK1
SCHEMBL26229808 0.85 POLRMT (0.40) POLRMTDOT1L
SCHEMBL26239590 0.84 POLRMT (0.37) POLRMTDOT1LGRM5STING1PIK3CD
SCHEMBL26229810 0.84 POLRMT (0.40) POLRMTDOT1LRIPK1
SCHEMBL26832289 0.83 POLRMT (0.35) POLRMT
SCHEMBL26230172 0.82 POLRMT (0.38) POLRMTDOT1LRIPK1STING1PIK3CD

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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