SCHEMBL26235395

SCHEMBL26235395

CCCCCOC(=O)OC[C@]1(C)CC[C@H](c2ccc3c(N)ncnn23)O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ DOT1L Q8TEK3 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXRA P19793 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
SCHEMBL26235609 0.88 POLRMT (0.34) POLRMTDOT1L
SCHEMBL26235249 0.88 POLRMT (0.37) POLRMTDOT1LSMN1; SMN2
SCHEMBL26235537 0.87 POLRMT (0.36) POLRMTDOT1L
SCHEMBL26237759 0.87 POLRMT (0.33) POLRMTDOT1LLMNAHTTSMN1; SMN2
SCHEMBL26235247 0.87 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26832526 0.86 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235533 0.85 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235338 0.85 POLRMT (0.35) POLRMTDOT1L
SCHEMBL26235530 0.85 POLRMT (0.36) POLRMTDOT1LHTTSMN1; SMN2
SCHEMBL26235390 0.84 POLRMT (0.35) 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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