SCHEMBL7031850

SCHEMBL7031850

C#C[C@@]1(OC(=O)C(C)C)[C@@H](COC(=O)c2ccc(Cl)cc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.39
▸ P2RY2 P41231 11/20 0.36
▸ P2RY6 Q15077 6/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ P2RY4 P51582 5/20 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
SCHEMBL7033017 0.90 P2RY2 (0.35) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7035782 0.90 NT5E (0.41) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL8429234 0.89 NT5E (0.40) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL8427016 0.88 NT5E (0.39) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL8426953 0.88 NT5E (0.39) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7037656 0.87 NT5E (0.38) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7037107 0.87 NT5E (0.44) NT5EP2RY2P2RY6P2RY14
SCHEMBL7035981 0.85 NT5E (0.36) NT5E
SCHEMBL8426931 0.83 ALDH1A1 (0.38) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7037180 0.81 UPP1 (0.37) —

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-0842942-B1 D-PENTOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-03-12 — — EP disclosed
US-5880294-A D-pentofuranose derivatives and process for preparing the same TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-09 — — US disclosed
EP-0842942-A1 D-PENTOFURANOSE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-05-20 — — EP disclosed
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