SCHEMBL6534834

SCHEMBL6534834

CCCOc1ccc(S(=O)(=O)O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
ERN1 O75460 2/20 0.44
ACACB O00763 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL6301223 0.88 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4501364 0.83 RAB9A (0.46) CA12CA1CA2CA7CA9
SCHEMBL669063 0.82 GAA (0.54) CA12CA1CA2CA7CA9
SCHEMBL10740495 0.80 GAA (0.52) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2532256 0.80 GAA (0.52) CA12CA1CA2CA7CA9
SCHEMBL10745617 0.80 GAA (0.52) CA12CA1CA2CA7CA9
SCHEMBL7027139 0.80 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1607721 0.80 MAPT (0.52) CA12CA1CA2CA7CA9
SCHEMBL9232402 0.79 GAA (0.55) RAPGEF3KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7353198 0.78 MAOB (0.51) ERN1CA12CA1CA2CA7

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-1097242-A4 METHOD FOR DETECTING BIOLOGICAL AGENTS UNIV CALIFORNIA (US) 2004-04-21 EP disclosed
EP-1097242-A1 METHOD FOR DETECTING BIOLOGICAL AGENTS The Regents of The University of California (US) 2001-05-09 EP disclosed
WO-2000066790-A1 METHOD FOR DETECTING BIOLOGICAL AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-11-09 WO disclosed