SCHEMBL8745367

SCHEMBL8745367

CC(C)C(C)(C)[SiH2]OC[C@]1(O)O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A1 O15245 1/20 0.35
LGALS9 O00182 1/20 0.34
LGALS1 P09382 1/20 0.34
LGALS3 P17931 1/20 0.34
LGALS7; LGALS7B P47929 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PTPN1 P18031 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL8745366 0.81 MAPT (0.50) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL8745383 0.77 ALDH1A1 (0.37) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL3089802 0.74 MAPT (0.41) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL2932044 0.72 MAPT (0.47) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL14110269 0.70 MAPT (0.62) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL14110267 0.70 MAPT (0.62) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL8745414 0.70 ALDH1A1 (0.39) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL30708946 0.69 ALDH1A1 (0.46) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL3024504 0.69 ALDH1A1 (0.46) MAPTALDH1A1POLBGAAMAPK1
SCHEMBL28604390 0.69 MAPT (0.57) MAPTALDH1A1POLBGAAMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276143-A Dideoxyfructonucleosides and deoxyfructonucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-04 US disclosed