SCHEMBL26946941

SCHEMBL26946941

CC(C)C(=O)OCC1OC(c2ccc3c(N)ncnn23)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.38
▸ ATG7 O95352 9/20 0.35
▸ POLRMT O00411 1/20 0.34
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL26027103 0.85 DOT1L (0.36) DOT1LPOLRMTRIPK1
SCHEMBL24606262 0.85 DOT1L (0.36) DOT1LPOLRMTRIPK1
SCHEMBL23960103 0.83 DOT1L (0.38) DOT1LPOLRMTRIPK1
SCHEMBL27121518 0.83 DOT1L (0.40) DOT1LATG7POLRMTRIPK1
SCHEMBL26268832 0.83 DOT1L (0.39) DOT1LATG7POLRMT
SCHEMBL27121501 0.83 DOT1L (0.40) DOT1LATG7POLRMT
SCHEMBL26282567 0.82 DOT1L (0.38) DOT1LATG7POLRMT
SCHEMBL25400732 0.82 DOT1L (0.38) DOT1LATG7POLRMT
SCHEMBL27121353 0.82 DOT1L (0.34) DOT1LATG7POLRMT
SCHEMBL24606235 0.82 ADRB1 (0.40) DOT1LPOLRMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054618-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-03-14 — — WO disclosed
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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