SCHEMBL26235261

SCHEMBL26235261

CCCOC(=O)OC[C@@]1(C)O[C@@H](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 0.46
▸ DOT1L Q8TEK3 3/20 0.38
▸ STING1 Q86WV6 1/20 0.31
▸ RIPK1 Q13546 3/20 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
SCHEMBL26832737 0.94 POLRMT (0.45) POLRMTDOT1LSTING1RIPK1
SCHEMBL26239628 0.93 POLRMT (0.44) POLRMTDOT1L
SCHEMBL26235400 0.93 POLRMT (0.47) POLRMTDOT1LSTING1RIPK1
SCHEMBL26238995 0.90 POLRMT (0.48) POLRMTDOT1LSTING1RIPK1
SCHEMBL26828450 0.89 POLRMT (0.47) POLRMTDOT1LSTING1RIPK1
SCHEMBL26235258 0.88 POLRMT (0.46) POLRMTDOT1LSTING1RIPK1
SCHEMBL26831777 0.88 POLRMT (0.47) POLRMTDOT1LSTING1RIPK1
SCHEMBL26230098 0.88 POLRMT (0.48) POLRMTDOT1LSTING1RIPK1
SCHEMBL26230341 0.88 POLRMT (0.49) POLRMTDOT1LSTING1RIPK1
SCHEMBL26834403 0.88 POLRMT (0.45) POLRMTDOT1LSTING1RIPK1

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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