SCHEMBL6879480

SCHEMBL6879480

COC(=O)/C=C/c1ccc(OCc2cc(COc3ccc(/C=C/C(=O)OC)cc3OC)cc(OCCCCCCCl)c2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.63
ACHE P22303 7/20 0.50
BCHE P06276 6/20 0.50
APP P05067 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
EPHX2 P34913 1/20 0.48

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
SCHEMBL6879485 1.00 FDPS (0.63) FDPSACHEBCHEAPPALDH1A1
SCHEMBL6882597 0.96 FDPS (0.58) FDPSACHEBCHEAPPALDH1A1
SCHEMBL6882602 0.96 FDPS (0.58) FDPSACHEBCHEAPPALDH1A1
SCHEMBL6875479 0.89 FDPS (0.50) FDPSALDH1A1HPGDHTTKDM4E
SCHEMBL6875471 0.89 FDPS (0.50) FDPSALDH1A1HPGDHTTKDM4E
SCHEMBL4421209 0.88 FDPS (0.81) FDPSACHEBCHEAPPKDM4E
SCHEMBL6882991 0.87 FDPS (0.56) FDPSACHEBCHEAPPALDH1A1
SCHEMBL6882986 0.87 FDPS (0.56) FDPSACHEBCHEAPPALDH1A1
SCHEMBL13934765 0.85 FDPS (0.62) FDPSACHEBCHEAPPKDM4E
SCHEMBL4419931 0.84 FDPS (0.70) FDPSACHEBCHEAPPALDH1A1

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 5 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
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 US 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