SCHEMBL3655503

SCHEMBL3655503

O=S(=O)(OCCCCCCCCCCCS)OCCCCCCCCCCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.46
CA2 P00918 16/20 0.46
CA9 Q16790 15/20 0.46
CA12 O43570 5/20 0.46
CA7 P43166 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA3 P07451 4/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA5A P35218 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL17183005 1.00 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL17183011 1.00 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL5024582 0.89 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL17183004 0.80 FNTA (0.46) CA1CA2CA9CA12CA7
SCHEMBL3655506 0.80 FNTA (0.46) CA1CA2CA9CA12CA7
SCHEMBL17183010 0.80 FNTA (0.46) CA1CA2CA9CA12CA7
Potassium Ion SCHEMBL3787521 0.80 RECQL (0.40) CA1CA2CA9CA12CA7
SCHEMBL3844911 0.78 RECQL (0.63) CA1CA2CA9CA12CA7
SCHEMBL31174722 0.78 RECQL (0.63) CA1CA2CA9CA12CA7
SCHEMBL5026205 0.77 PTGS1 (0.32) CA1CA2CA9TSHRKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197494-A2 FUNCTIONALIZED NANOPARTICLES FOR THE INHIBITION OF SELECTIN-MEDIATED CELL ADHESION Freie Universität Berlin (DE) 2010-06-23 EP disclosed
WO-2009030492-A2 FUNCTIONALIZED NANOPARTICLES FOR THE INHIBITION OF SELECTIN-MEDIATED CELL ADHESION FREIE UNIVERSITÄT BERLIN (DE) 2009-03-12 WO disclosed
EP-2033660-A1 Functionalized nanoparticles for the inhibition of selectin-mediated cell adhesion Freie Universität Berlin (DE) 2009-03-11 EP disclosed