SCHEMBL6764592

SCHEMBL6764592

C/C(=C\CC/C(C)=C/CCC(=CCc1cc(O)ccc1O)C(=O)O)CF

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.54
PTGS2 P35354 2/20 0.54
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
ACHE P22303 1/20 0.44
CTSK P43235 1/20 0.40
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C3 P42330 1/20 0.38
MAOB P27338 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
Ganomycin B SCHEMBL12249396 0.91 BACE1 (0.65) BACE1PTGS2ALOX5ALOX15ACHE
Ganomycin B SCHEMBL30164283 0.91 BACE1 (0.65) BACE1PTGS2ALOX5ALOX15ACHE
Ganomycin B SCHEMBL7074168 0.91 BACE1 (0.65) BACE1PTGS2ALOX5ALOX15ACHE
Ganomycin B SCHEMBL6764577 0.91 BACE1 (0.65) BACE1PTGS2ALOX5ALOX15ACHE
SCHEMBL6768674 0.91 BACE1 (0.65) BACE1PTGS2ALOX5ALOX15ACHE
Ganomycin A SCHEMBL1839019 0.89 PTGS2 (0.67) BACE1PTGS2ALOX5ALOX15ACHE
Ganomycin A SCHEMBL6765493 0.89 PTGS2 (0.67) BACE1PTGS2ALOX5ALOX15ACHE
SCHEMBL6764548 0.89 PTGS2 (0.67) BACE1PTGS2ALOX5ALOX15ACHE
SCHEMBL6761207 0.89 PTGS2 (0.67) BACE1PTGS2ALOX5ALOX15ACHE
Ganomycin A SCHEMBL7074132 0.89 PTGS2 (0.67) BACE1PTGS2ALOX5ALOX15ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6726911-B1 SOLVENT EXTRACT; MICROBIOCIDES; ENDOPEPTIDASE, ANGIOTENSIN CONVERTING ENZYME AND SERUM-MEDIATED-BINDING OF LIPOPOLYSACCHARIDE INHIBITORS GANOMYCIN (DE) 2004-04-27 US disclosed
EP-1158995-B1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 GANOMYCIN GES FUER BIOMEDIZINI (DE) 2003-06-18 EP disclosed