SCHEMBL454014

SCHEMBL454014

CCCCCCCCCCOC(=O)C(CCCCCCCCCC)(CC(=O)O)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
EPHX2 P34913 2/20 0.39
EPHX1 P07099 1/20 0.38
ACHE P22303 6/20 0.37
TSHR P16473 2/20 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
SCHEMBL10776305 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL3806159 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL1413235 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL28328189 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL7778396 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL9437676 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL6544578 1.00 NAAA (0.40) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL28773471 0.99 NAAA (0.39) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL6131309 0.99 NAAA (0.39) NAAAHCAR2EPHX2EPHX1ACHE
SCHEMBL9776309 0.99 NAAA (0.39) NAAAHCAR2EPHX2EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963482-B1 METHOD FOR INHIBITING ORGANIC CONTAMINANT DEPOSITIONS IN PULP AND PAPERMAKING SYSTEM BETZDEARBORN INC (US) 2004-11-03 EP claimed
US-20120064171-A1 Pesticide Composition BEDO HOLDING AG (CH) 2012-03-15 US disclosed
US-8062676-B2 Pesticide composition BEDO HOLDING AG (CH) 2011-11-22 US disclosed
US-20100003341-A1 COMPOSITION WITH A BACTERICIDAL, FUNGICIDAL, VIRICIDAL AND INSECTICIDAL ACTION AND COMPOSITION ACTING AS A REPELLENT BESENDORFER THOMAS 2010-01-07 US disclosed
US-20080181968-A1 Pesticide Composition BEDO HOLDING AG (CH) 2008-07-31 US disclosed
EP-1916893-A2 COMPOSITION WITH A BACTERICIDAL, FUNGICIDAL, VIRICIDAL AND INSECTICIDAL ACTION AND COMPOSITION ACTING AS A REPELLENT Besendorfer, Thomas (DE) 2008-05-07 EP disclosed
WO-2007014575-A1 COMPOSITION HAVING BACTERICIDAL, FUNGICIDAL, VIRUCIDAL AND INSECTICIDAL ACTION BESENDORFER THOMAS (DE) 2007-02-08 WO disclosed
WO-2007014606-A2 COMPOSITION WITH A BACTERICIDAL, FUNGICIDAL, VIRICIDAL AND INSECTICIDAL ACTION AND COMPOSITION ACTING AS A REPELLENT BESENDORFER THOMAS (DE) 2007-02-08 WO disclosed