SCHEMBL7037656

SCHEMBL7037656

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.38
▸ P2RY2 P41231 6/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ P2RY6 Q15077 5/20 0.33
▸ P2RY14 Q15391 2/20 0.33
▸ P2RY4 P51582 2/20 0.32
▸ ENTPD2 Q9Y5L3 1/20 0.32
▸ SLC28A1 O00337 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ SLC28A3 Q9HAS3 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL7035782 0.89 NT5E (0.41) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL8426953 0.88 NT5E (0.39) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL8427016 0.88 NT5E (0.39) NT5EP2RY2GAPDHP2RY6P2RY14
SCHEMBL8429234 0.88 NT5E (0.40) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7031850 0.87 NT5E (0.39) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7037107 0.86 NT5E (0.44) NT5EP2RY2GAPDHP2RY6P2RY14
SCHEMBL8426931 0.83 ALDH1A1 (0.38) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL8429073 0.82 POLB (0.35) GAPDHPOLBMEN1KMT2A
SCHEMBL7162782 0.81 NT5E (0.47) NT5EP2RY2P2RY6P2RY14P2RY4
SCHEMBL7035240 0.79 P2RY2 (0.34) NT5EP2RY2GAPDHP2RY6P2RY4

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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