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SCHEMBL25077634

SCHEMBL25077634

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@]1(C#N)O[C@@H](c2ccc3c(N)ncnn23)C[C@@H]1O)OCc1ccc(OC)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ AKT1 P31749 2/20 0.30
▸ PLCG2 P16885 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ AKT2 P31751 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ AKT3 Q9Y243 1/20 0.30
▸ GAB1 Q13480 1/20 0.30
▸ 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
SCHEMBL25077077 0.97 POLRMT (0.33) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25077065 0.93 POLRMT (0.33) POLRMTS1PR1AKT1PLCG2PIK3R1
SCHEMBL25768661 0.92 POLRMT (0.34) POLRMTPIK3CD
SCHEMBL25077324 0.91 POLRMT (0.39) POLRMTS1PR1
SCHEMBL25772698 0.90 POLRMT (0.33) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25077189 0.89 POLRMT (0.32) POLRMTS1PR1PIK3CD
SCHEMBL25077052 0.89 POLRMT (0.34) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25077248 0.88 POLRMT (0.33) POLRMTAKT1PIK3R1AKT2PIK3CA
SCHEMBL25077088 0.88 POLRMT (0.39) POLRMTS1PR1AKT1PLCG2PIK3R1
SCHEMBL25768654 0.88 POLRMT (0.34) POLRMTPIK3CD

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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