SCHEMBL7035707

SCHEMBL7035707

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA5 P30532 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ UPP1 Q16831 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL7038041 0.87 UPP1 (0.39) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7037180 0.84 UPP1 (0.37) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7037404 0.84 HPGD (0.40) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7031856 0.84 POLB (0.35) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8429073 0.83 POLB (0.35) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7038066 0.83 MEN1 (0.41) POLBCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7161077 0.83 ALDH1A1 (0.39) CHRNB2CHRNA5CHRNA7CHRNA4ALDH1A1
SCHEMBL8429234 0.81 NT5E (0.40) TDP1
SCHEMBL7030197 0.79 ALDH1A1 (0.44) UPP1KMT2ACYP2C19MEN1CYP1A2
SCHEMBL30008148 0.75 ALDH1A1 (0.41) POLBCHRNB2CHRNA5CHRNA7CHRNA4

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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