SCHEMBL6882986

SCHEMBL6882986

C=C(C)C(=O)OCCCCCCOc1cc(COc2ccc(/C=C/C(=O)OC)cc2OC)cc(COc2ccc(/C=C/C(=O)OC)cc2OC)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.56
ACHE P22303 7/20 0.48
BCHE P06276 6/20 0.48
APP P05067 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 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
SCHEMBL6882991 1.00 FDPS (0.56) FDPSACHEBCHEAPPALDH1A1
SCHEMBL4416176 0.91 FDPS (0.52) FDPSACHEBCHEAPPALDH1A1
SCHEMBL4416182 0.91 FDPS (0.52) FDPSACHEBCHEAPPALDH1A1
SCHEMBL13934768 0.91 FDPS (0.52) FDPSACHEBCHEAPPALDH1A1
SCHEMBL6877633 0.91 FDPS (0.46) FDPSACHEBCHEALDH1A1HPGD
SCHEMBL6883700 0.91 FDPS (0.46) FDPSACHEBCHEALDH1A1HPGD
SCHEMBL18936864 0.90 FDPS (0.70) FDPSACHEBCHEAPPKDM4E
SCHEMBL9951733 0.90 FDPS (0.70) FDPSACHEBCHEAPPKDM4E
SCHEMBL9952058 0.90 FDPS (0.70) FDPSACHEBCHEAPPKDM4E
SCHEMBL9952708 0.90 FDPS (0.70) FDPSACHEBCHEAPPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833421-B1 Compound ROLIC AG (CH) 2004-12-21 US disclosed
EP-1200494-B1 COMPOUND ROLIC AG (CH) 2004-08-18 EP disclosed
EP-1200494-A1 COMPOUND Rolic AG (CH) 2002-05-02 EP disclosed
WO-2001007495-A1 COMPOUND ROLIC AG (CH) 2001-02-01 WO disclosed