SCHEMBL4358985

SCHEMBL4358985

[Mo+6].[O-2].[O-2].[O-2].c1scc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
ADRA2A P08913 1/20 0.30

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
SCHEMBL456419 0.94 ITGB2 (0.45) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL33274 0.94
SCHEMBL23247119 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL28570678 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Water SCHEMBL29163404 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL25248367 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL28535767 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Methane SCHEMBL28353935 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Water SCHEMBL20425715 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL28543841 0.91 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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
WO-2009061845-A1 RAPID MICROWAVE-SOLVOTHERMAL SYNTHESIS AND SURFACE MODIFICATION OF NANOSTRUCTURED PHOSPHO-OLIVINE CATHODES FOR LITHIUM ION BATTERIES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-05-14 WO disclosed
US-20090117020-A1 RAPID MICROWAVE-SOLVOTHERMAL SYNTHESIS AND SURFACE MODIFICATION OF NANOSTRUCTURED PHOSPHO-OLIVINE CATHODES FOR LITHIUM ION BATTERIES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-05-07 US disclosed