SCHEMBL24780307

SCHEMBL24780307

COC1(C(=O)OC[C@H]2O[C@@H](n3ccc(NO)nc3=O)[C@@H]3OC(C)(C)O[C@@H]32)CCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 11/20 0.41
P2RY2 P41231 5/20 0.41
P2RY4 P51582 4/20 0.41
ALDH1A1 P00352 2/20 0.37
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL24780863 0.89 P2RY6 (0.40) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829003 0.87 P2RY6 (0.40) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24780308 0.87 P2RY6 (0.51) P2RY6P2RY2P2RY4P2RY14NT5E
SCHEMBL24780874 0.86 P2RY6 (0.38) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829080 0.86 P2RY6 (0.45) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829004 0.86 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829133 0.86 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL25631417 0.85 P2RY6 (0.44) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829091 0.85 P2RY6 (0.40) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829422 0.84 P2RY6 (0.41) P2RY6P2RY2P2RY4ALDH1A1P2RY14

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