SCHEMBL15040786

SCHEMBL15040786

CC(=O)OCC1O[C@H](Oc2cccc(I)c2)C(OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.53
PDIA4 P13667 1/20 0.53
PDIA3 P30101 1/20 0.53
MEN1 O00255 2/20 0.53
CYP3A4 P08684 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA9 Q16790 4/20 0.52
CA2 P00918 3/20 0.52
CYP2D6 P10635 1/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50

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
SCHEMBL2040554 1.00 P4HB (0.53) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL16847902 1.00 P4HB (0.53) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL11154076 0.88 MEN1 (0.56) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL2037083 0.87 POLB (0.58) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL13347802 0.86 LMNA (0.58) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL15040782 0.86 LMNA (0.58) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL17366230 0.86 LMNA (0.58) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL2039373 0.86 LMNA (0.58) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL16847549 0.86 LMNA (0.58) P4HBPDIA4PDIA3MEN1CYP3A4
SCHEMBL6410787 0.86 LMNA (0.58) P4HBPDIA4PDIA3MEN1CYP3A4

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
EP-2960247-A1 PHENYL-ALPHA-D-MANNOSIDES FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS CAUSED BY ESCHERICHIA COLI University of Basel (CH) 2015-12-30 EP disclosed
EP-2604619-A2 Mannose derivatives as antagonists of bacterial adhesion University of Basel (CH) 2013-06-19 EP disclosed