SCHEMBL7033176

SCHEMBL7033176

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
UPP1 Q16831 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7033175 1.00 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL7033483 0.84 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL7033484 0.84 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL7038851 0.83 HPGD (0.42) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL24672322 0.77 ALDH1A1 (0.45) KMT2ACHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7038854 0.76 CHRNB2 (0.38) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL7038557 0.73 CHRNB2 (0.35) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL24672804 0.72 ALDH1A1 (0.44) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL27195180 0.72 ALDH1A1 (0.44) MEN1KMT2ACYP1A2CYP2C19CHRNB2
SCHEMBL24672824 0.72 ALDH1A1 (0.44) MEN1KMT2ACYP1A2CYP2C19CHRNB2

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