SCHEMBL8426931

SCHEMBL8426931

C#C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ P2RY2 P41231 5/20 0.38
▸ P2RY6 Q15077 5/20 0.38
▸ P2RY14 Q15391 2/20 0.38
▸ NT5E P21589 3/20 0.37
▸ P2RY4 P51582 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MGLL Q99685 1/20 0.30
▸ SLC28A1 O00337 1/20 0.30
▸ SLC28A2 O43868 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ SLC28A3 Q9HAS3 1/20 0.30
▸ TERT O14746 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
SCHEMBL7035782 0.93 NT5E (0.41) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7037107 0.90 NT5E (0.44) ALDH1A1P2RY2P2RY6P2RY14NT5E
SCHEMBL8427016 0.89 NT5E (0.39) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7033002 0.85 P2RY2 (0.34) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7162782 0.85 NT5E (0.47) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL8429234 0.85 NT5E (0.40) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL8426953 0.83 NT5E (0.39) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7031850 0.83 NT5E (0.39) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7037656 0.83 NT5E (0.38) P2RY2P2RY6P2RY14NT5EP2RY4
SCHEMBL7030197 0.83 ALDH1A1 (0.44) ALDH1A1NT5EMAPTSMN1; SMN2MEN1

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
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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