SCHEMBL20952828

SCHEMBL20952828

CC1(O)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.44
▸ HTR1A P08908 1/20 0.42
▸ TACR2 P21452 3/20 0.42
▸ PTPN1 P18031 6/20 0.42
▸ CDC25B P30305 6/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ GJB2 P29033 1/20 0.38

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
SCHEMBL11673525 1.00 NT5E (0.44) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL16027750 1.00 NT5E (0.44) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL13572465 1.00 NT5E (0.44) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL14599853 1.00 NT5E (0.44) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL11673905 0.96 NT5E (0.43) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL11673910 0.96 NT5E (0.43) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL13449570 0.85 NT5E (0.41) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL13449558 0.85 NT5E (0.41) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL11913226 0.84 HTR1A (0.42) NT5EHTR1ATACR2PTPN1CDC25B
SCHEMBL7908255 0.84 BCHE (0.44) NT5EHTR1ATACR2PTPN1CDC25B

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-10274490-B2 Magnetic labeling of bacteria THE GENERAL HOSPITAL CORPORATION (US) 2019-04-30 — — US disclosed
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