SCHEMBL8429138

SCHEMBL8429138

C#C[C@@]1(O)[C@@H](COC(=O)c2ccc(Cl)cc2)O[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.36
UPP1 Q16831 1/20 0.36
GAA P10253 2/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL7159964 0.90 ALDH1A1 (0.55) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL7038851 0.86 HPGD (0.42) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL7033484 0.81 MEN1 (0.43) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL7033483 0.81 MEN1 (0.43) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL7157387 0.78 ALDH1A1 (0.54) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL7205001 0.77 ALDH1A1 (0.54) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL21954535 0.75 ALDH1A1 (0.53) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL21418918 0.75 ALDH1A1 (0.60) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL16576319 0.75 ALDH1A1 (0.60) HPGDALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL20557340 0.75 ALDH1A1 (0.60) HPGDALDH1A1CHRNB2CHRNA5CHRNA7

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