SCHEMBL6301223

SCHEMBL6301223

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

nearest known ligand 0.49

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
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
ERN1 O75460 2/20 0.44
LMNA P02545 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
SCHEMBL7027139 0.89 CA12 (0.45) L3MBTL1MAPTTSHRCA12CA1
SCHEMBL6534834 0.88 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17924007 0.88 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1MAPTLMNATSHR
SCHEMBL9774344 0.84 S1PR3 (0.48) SMN1; SMN2L3MBTL1MAPTLMNATSHR
SCHEMBL668653 0.82 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1MAPTLMNACA12
SCHEMBL30965843 0.82 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1MAPTLMNACA12
Hydrochloric Acid SCHEMBL27876200 0.80 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL11050888 0.80 CTDSP1 (0.57) L3MBTL1MAPTLMNATSHRCA12
SCHEMBL1607721 0.77 MAPT (0.52) L3MBTL1MAPTLMNATSHRCA12
SCHEMBL15450963 0.77 CA2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-6979543-B2 Method for detecting biological agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20040023272-A1 Method for detecting biological agents LOS ALAMOS NATIONAL SECURITY, LLC 2004-02-05 US disclosed
US-6589731-B1 Biosensor comprising polymer exhibiting luminescence and electrical conductivity; complexed with a recognition, tethering and a property-altering element; separation from polymer results in detectable signal change THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-07-08 US disclosed