Sugi Predict

Sugi Predict / Compounds / SCHEMBL25077309

SCHEMBL25077309

SCHEMBL25077309

CCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1[C@@]2(C#N)O[C@@H](c3ccc4c(N)ncnn34)[C@H](O)[C@@]12O)Oc1ccc(C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ AKT1 P31749 6/20 0.31
▸ AKT2 P31751 5/20 0.31
▸ AKT3 Q9Y243 5/20 0.31
▸ PIK3R1 P27986 4/20 0.31
▸ PIK3CA P42336 4/20 0.31
▸ PLCG2 P16885 1/20 0.31
▸ GAB1 Q13480 1/20 0.31

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
SCHEMBL25077601 0.92 POLRMT (0.35) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077190 0.91 POLRMT (0.34) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077075 0.89 POLRMT (0.35) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077609 0.87 POLRMT (0.33) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077314 0.87 POLRMT (0.33) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077563 0.86 POLRMT (0.36) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25783920 0.86 POLRMT (0.43) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077155 0.86 POLRMT (0.43) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077381 0.86 POLRMT (0.33) POLRMTAKT1AKT2AKT3PIK3R1
SCHEMBL25077194 0.86 POLRMT (0.34) POLRMT

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-2023023527-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-02-23 — — WO disclosed
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