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Alfadex

Alfadex

SCHEMBL10428641

C[C@@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)(O)O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPP4C P60510 1/20 0.80
▸ MAPT P10636 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ MAP1B P46821 1/20 0.35

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
Fostriecin SCHEMBL10738899 0.89 PPP4C (1.00) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL62527 0.89 PPP4C (1.00) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL469219 0.89 PPP4C (1.00) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL10738892 0.89 PPP4C (1.00) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL10030539 0.89 PPP4C (1.00) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL5052 0.89 PPP4C (0.98) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL31052709 0.83 MAPT (1.00) PPP4CMAPTTDP1MAP1B
Fostriecin SCHEMBL21408783 0.83 MAPT (1.00) PPP4CMAPTTDP1MAP1B
SCHEMBL442237 0.82 PPP4C (0.86) PPP4CMAPTTDP1MAP1B
SCHEMBL444441 0.82 PPP4C (0.86) PPP4CMAPTTDP1MAP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206490-B1 ANTIBIOTIC CLATHRATES WARNER-LAMBERT COMPANY (US) 1990-03-14 — — EP disclosed
US-4663316-A Antibiotic clathrates and pharmaceutical compositions thereof WARNER-LAMBERT COMPANY (US) 1987-05-05 — — US disclosed
EP-0206490-A2 Antibiotic clathrates WARNER-LAMBERT COMPANY (US) 1986-12-30 — — EP disclosed