SCHEMBL30544933

SCHEMBL30544933

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.73
PI4K2B Q8TCG2 1/20 0.73
PI4K2A Q9BTU6 1/20 0.73
PI4KB Q9UBF8 1/20 0.73
RXFP1 Q9HBX9 1/20 0.72
P2RX3 P56373 3/20 0.68
P2RX1 P51575 2/20 0.68
P2RX4 Q99571 2/20 0.68
AMD1 P17707 2/20 0.58
GAA P10253 1/20 0.52
MARS1 P56192 1/20 0.51
OR51E2 Q9H255 1/20 0.51
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
PRKACA P17612 1/20 0.50
DNPH1 O43598 1/20 0.50
PRKAB2 O43741 1/20 0.50
TRPM2 O94759 1/20 0.50
LDHA P00338 1/20 0.50

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
SCHEMBL3407241 1.00 PI4KA (0.73) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1798271 1.00 PI4KA (0.73) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL11889816 0.96 PI4KA (0.80) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19859400 0.92 PI4KA (0.76) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5672241 0.92 PI4KA (0.73) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16579246 0.89 RXFP1 (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12800890 0.89 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1796855 0.89 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1798145 0.89 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5317973 0.89 RXFP1 (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1

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
CN-118632856-A By bringing the carbohydrate deacylation of the substance 益力舒健康公司 2024-09-10 CN disclosed
WO-2023178017-A1 DEACYLATION OF CARBOHYDRATE COMPOUNDS ELYSIUM HEALTH INC. (US) 2023-09-21 WO disclosed