SCHEMBL24781002

SCHEMBL24781002

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COC(=O)[C@H]1CCCO1)O[C@H]2N1C=CC(=O)NC1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL23898246 0.82 HPGD (0.37) ALDH1A1HPGD
SCHEMBL24780304 0.81 HPGD (0.34) ALDH1A1HPGD
SCHEMBL23906506 0.78 ALDH1A1 (0.41) ALDH1A1HPGDLMNA
SCHEMBL24780841 0.77 SLC28A1 (0.39) —
SCHEMBL24781003 0.73 MEN1 (0.39) ALDH1A1KDM4ELMNANPSR1
SCHEMBL24781001 0.70 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10LMNANPSR1
SCHEMBL24780839 0.70 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10LMNANPSR1
SCHEMBL23348816 0.67 MGAM (0.33) —
SCHEMBL20172597 0.65 LMNA (0.53) ALDH1A1HSD17B10LMNA
SCHEMBL18531158 0.64 MGAM (0.38) —

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
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