SCHEMBL24780302

SCHEMBL24780302

COC1(C(=O)OC[C@H]2O[C@@H](n3ccc(-n4cncn4)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)CCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HPGD P15428 1/20 0.30
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30
P2RY6 Q15077 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
SCHEMBL24780873 0.87 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780875 0.85 P2RY2 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL21345149 0.85 ALDH1A1 (0.38) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780839 0.83 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781001 0.83 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780307 0.83 P2RY6 (0.41) ALDH1A1P2RY2P2RY4P2RY6
SCHEMBL24781322 0.82 P2RX1 (0.33) RXFP1P2RX1P2RX3P2RX4PI4KA
SCHEMBL24781018 0.81 ALDH1A1 (0.35) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781048 0.81 ALDH1A1 (0.40) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780389 0.78 RXFP1 (0.33) ALDH1A1RXFP1P2RX1P2RX3P2RX4

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-2022262845-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 WO disclosed