SCHEMBL8949781

SCHEMBL8949781

C=CCO[C@@H](C)[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.36
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
PTPN1 P18031 6/20 0.35
CDC25B P30305 6/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OGA O60502 1/20 0.32
PTPN2 P17706 2/20 0.32
PTPN6 P29350 2/20 0.32
PTPN11 Q06124 2/20 0.32
FAAH O00519 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
SCHEMBL8949775 1.00 BCHE (0.36) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL8949507 0.81 PTPN1 (0.42) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL8949600 0.81 PTPN1 (0.42) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL9145474 0.74 SSTR1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6248466 0.71 PTPN1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7903447 0.71 SSTR1 (0.39) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL3429711 0.71 BCHE (0.36) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL16027437 0.71 PTPN1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL16027344 0.71 PTPN1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL4283122 0.71 PTPN1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3

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-5512470-A Method for inhibiting sialidase activity E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-30 US disclosed
US-5489675-A POWERFUL ANTIVIRAL AND ANTIBACTERIAL AGENTS SPECIALLY INFLUENZA VIRUS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-02-06 US disclosed