SCHEMBL5403395

SCHEMBL5403395

CC[N+](C)(C)C.CS(=O)(=O)S

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
BBOX1 O75936 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL1293415 0.80 BBOX1 (0.42) SLC6A4BBOX1KDM4ECYP3A4
SCHEMBL5403393 0.80 SLC6A4 (0.42) SLC6A4BBOX1KDM4ECYP3A4
SCHEMBL4896749 0.80 SLC6A4 (0.42) SLC6A4BBOX1KDM4ECYP3A4
Sulfuric Acid SCHEMBL9350051 0.76 CA5A (0.43) SLC6A4BBOX1KDM4E
Sulfuric Acid SCHEMBL7898103 0.76 BBOX1 (0.44) SLC6A4BBOX1CYP3A4
SCHEMBL5403394 0.75 BBOX1 (0.39) SLC6A4BBOX1
Sulfuric Acid SCHEMBL19811567 0.73 BBOX1 (0.42) SLC6A4BBOX1CYP3A4
Sulfuric Acid SCHEMBL6142922 0.73 BBOX1 (0.42) SLC6A4BBOX1CYP3A4
SCHEMBL232317 0.73
SCHEMBL339047 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238489-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-07-03 US disclosed
US-7101692-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-05 US disclosed
US-20060073530-A1 Methods and compositions involving sortase B NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-06 US disclosed
EP-1416955-A4 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2005-06-15 EP disclosed
US-20050069984-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-31 US disclosed
EP-1233780-A4 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2004-09-22 EP disclosed
US-6773706-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-08-10 US disclosed
EP-1416955-A2 IDENTIFICATION OF SORTASE GENE The Regents of the University of California (US) 2004-05-12 EP disclosed
WO-2003020885-A9 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2004-04-01 WO disclosed
US-20030153020-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-08-14 US disclosed
WO-2003020885-A2 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-03-13 WO disclosed
US-20030022178-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-30 US disclosed
EP-1233780-A1 IDENTIFICATION OF SORTASE GENE The Regents of the University of California (US) 2002-08-28 EP disclosed
WO-2000062804-A2 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-10-26 WO disclosed
WO-1999042473-A9 INHIBITION OF TOXIN TRANSLOCATION HARVARD COLLEGE (US) 1999-11-04 WO disclosed
WO-1999042473-A1 INHIBITION OF TOXIN TRANSLOCATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-08-26 WO disclosed
WO-1999009145-A1 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-02-25 WO disclosed