SCHEMBL29062255

SCHEMBL29062255

CC(C)CCOP(=O)(OCl)OCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
TRPM8 Q7Z2W7 1/20 0.31
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL1200178 0.85 CYP3A4 (0.46) ALDH1A1CYP3A4MEN1KMT2ATRPM8
SCHEMBL18205018 0.85 ALDH1A1 (0.48) ALDH1A1
SCHEMBL16095406 0.83 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL155703 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4MEN1KMT2ATRPM8
SCHEMBL28448143 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4MEN1KMT2ATRPM8
SCHEMBL5852154 0.77 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHR
SCHEMBL5908971 0.77 ALDH1A1 (0.38) ALDH1A1CYP3A4MEN1KMT2ATRPM8
SCHEMBL5908953 0.77 TSHR (0.59) ALDH1A1CYP3A4MEN1KMT2ATRPM8
SCHEMBL21437072 0.77 ALDH1A1 (0.38) ALDH1A1CYP3A4MEN1KMT2ATRPM8
SCHEMBL29145651 0.77 CYP3A4 (0.50) ALDH1A1CYP3A4MEN1KMT2ATRPM8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773417-B Cordycepin phosphate and preparation method and application thereof 郑州大学 2023-08-22 CN claimed
CN-114773417-A Cordycepin phosphate and preparation method and application thereof 郑州大学 2022-07-22 CN claimed
CN-114773417-B Cordycepin phosphate and preparation method and application thereof 郑州大学 2023-08-22 CN disclosed
CN-114773417-A Cordycepin phosphate and preparation method and application thereof 郑州大学 2022-07-22 CN disclosed