SCHEMBL31124774

SCHEMBL31124774

COc1nc2c(N)nc(OC(COC(N)=O)CC(C)(C)C)nc2n1Cc1cccc(CP(=O)(O)OC)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 17/20 0.37
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ USP2 O75604 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL31124745 0.90 TLR7 (0.40) TLR7KDM4EALDH1A1GLAGAA
SCHEMBL31126588 0.88 TLR7 (0.37) TLR7
SCHEMBL31124753 0.87 PNP (0.38) TLR7
SCHEMBL31126592 0.81 TLR7 (0.42) TLR7
SCHEMBL31126537 0.80 TLR7 (0.39) TLR7
SCHEMBL31126597 0.80 TLR7 (0.37) TLR7
SCHEMBL31126603 0.79 TLR7 (0.37) TLR7KDM4EALDH1A1GLAGAA
SCHEMBL31126601 0.78 TLR7 (0.51) TLR7
SCHEMBL31126541 0.77 TLR7 (0.53) TLR7
SCHEMBL31126557 0.75 PNP (0.38) TLR7

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
CN-118724963-A Macrocyclic compounds containing phosphorus or sulfur and use thereof 浙江养生堂天然药物研究所有限公司 2024-10-01 — — CN disclosed
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