SCHEMBL7037404

SCHEMBL7037404

C#C[C@@]1(OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)OC(OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ UPP1 Q16831 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA5 P30532 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ NPC1 O15118 2/20 0.32

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 0.95 UPP1 (0.39) HPGDUPP1POLBCHRNB2CHRNA5
SCHEMBL7038066 0.91 MEN1 (0.41) UPP1POLBCHRNB2CHRNA5CHRNA7
SCHEMBL7035235 0.88 HPGD (0.39) HPGDUPP1POLBCHRNB2CHRNA5
SCHEMBL7030197 0.87 ALDH1A1 (0.44) HPGDUPP1KMT2ACYP1A2CYP2C19
SCHEMBL7035707 0.84 POLB (0.36) HPGDUPP1POLBCHRNB2CHRNA5
SCHEMBL8429073 0.84 POLB (0.35) HPGDUPP1POLBCHRNB2CHRNA5
SCHEMBL7031856 0.83 POLB (0.35) HPGDUPP1POLBCHRNB2CHRNA5
SCHEMBL7037180 0.83 UPP1 (0.37) HPGDUPP1POLBCHRNB2CHRNA5
SCHEMBL8427016 0.81 NT5E (0.39) HPGDUPP1POLBKMT2AMEN1
SCHEMBL7161077 0.81 ALDH1A1 (0.39) CHRNB2CHRNA5CHRNA7CHRNA4NPC1

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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