SCHEMBL827827

SCHEMBL827827

CC(=O)OC[C@H]1O[C@H](OCc2ccc([N+](=O)[O-])cc2)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ P4HB P07237 1/20 0.40
▸ PDIA4 P13667 1/20 0.40
▸ PDIA3 P30101 1/20 0.40
▸ CA9 Q16790 5/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ CA12 O43570 2/20 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
SCHEMBL827826 1.00 NT5E (0.47) NT5EPOLBLMNATSHRKMT2A
SCHEMBL9332856 0.89 LMNA (0.52) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL9332848 0.89 LMNA (0.52) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL24804649 0.89 LMNA (0.52) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL29865166 0.89 LMNA (0.52) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL8002809 0.87 CYP3A4 (0.46) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL8699184 0.83 TSHR (0.50) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL8699189 0.83 TSHR (0.50) POLBLMNATSHRKMT2ACYP2D6
SCHEMBL7028051 0.82 TSHR (0.54) LMNATSHRKMT2ACYP2D6P4HB
SCHEMBL1527155 0.82 TSHR (0.54) LMNATSHRKMT2ACYP2D6P4HB

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-8143072-B2 System for detecting nanoparticles using modulated surface plasmon resonance THE UNIVERSITY OF TOLEDO (US) 2012-03-27 — — US disclosed
US-20100164489-A1 System for Detecting Nanoparticles Using Modulated Surface Plasmon Resonance THE UNIVERSITY OF TOLEDO (US) 2010-07-01 — — US disclosed
Send feedback