SCHEMBL8745383

SCHEMBL8745383

CO[C@]1(CO[SiH2]C(C)(C)C(C)C)C[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.34
UPP1 Q16831 1/20 0.33
SLC22A1 O15245 1/20 0.33
SYNJ2 O15056 3/20 0.32
MAPT P10636 1/20 0.32
CES2 O00748 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
SCHEMBL8745367 0.77 MAPT (0.45) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL31519541 0.70 ALDH1A1 (0.46) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL8588726 0.69 ALDH1A1 (0.45) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL14232274 0.63 UPP1 (0.57) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL21082485 0.63 GAA (0.45) ALDH1A1GAAMAPK1BCHE
SCHEMBL13908943 0.63 UPP1 (0.57) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL19132673 0.63 BCHE (0.49) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL20141985 0.63 UPP1 (0.57) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL15481924 0.63 UPP1 (0.57) ALDH1A1GAAPOLBMAPK1NPSR1
SCHEMBL21754783 0.63 UPP1 (0.51) ALDH1A1GAAPOLBMAPK1NPSR1

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-0707590-A1 DIDEOXYFRUCTONUCLEOTIDES AND DEOXYFRUCTONUCLEOTIDES AS DNA POLYMERASE SUBSTRATES DU PONT (US) 1996-04-24 EP disclosed
WO-1995001986-A1 DIDEOXYFRUCTONUCLEOTIDES AND DEOXYFRUCTONUCLEOTIDES AS DNA POLYMERASE SUBSTRATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-19 WO disclosed
US-5276143-A Dideoxyfructonucleosides and deoxyfructonucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-04 US disclosed