SCHEMBL24780245

SCHEMBL24780245

C[C@]1(C(=O)OC(=O)[C@@]2(C)CCCO2)CCCO1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.37
RIPK1 Q13546 1/20 0.33
ITGB1 P05556 6/20 0.32
ITGA4 P13612 6/20 0.32
ITGB7 P26010 2/20 0.32

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
SCHEMBL24780246 1.00 GLS (0.37) GLSRIPK1ITGB1ITGA4ITGB7
SCHEMBL25476693 0.88 GLS (0.35) GLS
SCHEMBL2185550 0.85 NPSR1 (0.39) GLSRIPK1ITGB1ITGA4ITGB7
SCHEMBL24780247 0.85 NPSR1 (0.39) GLSRIPK1ITGB1ITGA4ITGB7
SCHEMBL7387351 0.80 GLS (0.34) GLSRIPK1ITGB1ITGA4ITGB7
SCHEMBL13317636 0.79
SCHEMBL9658533 0.79 GLS (0.40) GLSRIPK1ITGB1ITGA4ITGB7
SCHEMBL24780845 0.79
SCHEMBL18806638 0.79 NPSR1 (0.42) GLSRIPK1ITGB1ITGA4ITGB7
SCHEMBL25476520 0.79 HPGD (0.36)

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
WO-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 WO disclosed
WO-2022262845-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 WO disclosed