SCHEMBL6764548

SCHEMBL6764548

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

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.67
BACE1 P56817 4/20 0.55
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
ACHE P22303 1/20 0.45
CTSK P43235 1/20 0.41
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

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
SCHEMBL6761207 1.00 PTGS2 (0.67) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin A SCHEMBL1839019 1.00 PTGS2 (0.67) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin A SCHEMBL7074132 1.00 PTGS2 (0.67) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin A SCHEMBL6765493 1.00 PTGS2 (0.67) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin B SCHEMBL12249396 0.92 BACE1 (0.65) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin B SCHEMBL30164283 0.92 BACE1 (0.65) PTGS2BACE1ALOX5ALOX15ACHE
SCHEMBL6768674 0.92 BACE1 (0.65) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin B SCHEMBL7074168 0.92 BACE1 (0.65) PTGS2BACE1ALOX5ALOX15ACHE
Ganomycin B SCHEMBL6764577 0.92 BACE1 (0.65) PTGS2BACE1ALOX5ALOX15ACHE
SCHEMBL6764592 0.89 BACE1 (0.54) PTGS2BACE1ALOX5ALOX15ACHE

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