Sugi Predict

Sugi Predict / Compounds / SCHEMBL25077321

SCHEMBL25077321

SCHEMBL25077321

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@]1(C)C[C@@H](O)[C@H](c2ccc3c(N)ncnn23)O1)OCc1ccc(OC)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ 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
▸ S1PR1 P21453 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
SCHEMBL25077088 0.91 POLRMT (0.39) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25077037 0.91 POLRMT (0.34) POLRMT
SCHEMBL25077189 0.90 POLRMT (0.32) POLRMTS1PR1
SCHEMBL25077065 0.89 POLRMT (0.33) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25076958 0.89 POLRMT (0.36) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25077324 0.89 POLRMT (0.39) POLRMTS1PR1
SCHEMBL25076954 0.88 POLRMT (0.39) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25077634 0.87 POLRMT (0.33) POLRMTAKT1PLCG2PIK3R1AKT2
SCHEMBL25766796 0.87 POLRMT (0.32) POLRMT
SCHEMBL25077536 0.86 POLRMT (0.33) POLRMTAKT1PLCG2PIK3R1AKT2

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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