SCHEMBL4416176

SCHEMBL4416176

C=C(C)C(=O)OCCCCCCOC(=O)c1cc(OCc2cc(OCCCCCCCCOc3ccc(/C=C/C(=O)OC)cc3OC)cc(OCCCCCCCCOc3ccc(/C=C/C(=O)OC)cc3OC)c2)cc(OCc2cc(OCCCCCCCCOc3ccc(/C=C/C(=O)OC)cc3OC)cc(OCCCCCCCCOc3ccc(/C=C/C(=O)OC)cc3OC)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.52
ACHE P22303 11/20 0.45
BCHE P06276 8/20 0.45
APP P05067 2/20 0.43
ABCB1 P08183 2/20 0.42
ABCC1 P33527 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13934768 1.00 FDPS (0.52) FDPSACHEBCHEAPPABCB1
SCHEMBL4416182 1.00 FDPS (0.52) FDPSACHEBCHEAPPABCB1
SCHEMBL6882986 0.91 FDPS (0.56) FDPSACHEBCHEAPPKDM4E
SCHEMBL6882991 0.91 FDPS (0.56) FDPSACHEBCHEAPPKDM4E
SCHEMBL13934766 0.90 FDPS (0.56) FDPSACHEBCHEKDM4EMAPT
SCHEMBL6026041 0.89 FDPS (0.54) FDPSACHEBCHEAPPABCB1
SCHEMBL6026710 0.89 FDPS (0.54) FDPSACHEBCHEAPPABCB1
SCHEMBL6026703 0.89 FDPS (0.54) FDPSACHEBCHEAPPABCB1
SCHEMBL6026977 0.89 FDPS (0.54) FDPSACHEBCHEAPPABCB1
SCHEMBL6026047 0.89 FDPS (0.54) FDPSACHEBCHEAPPABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US disclosed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US disclosed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP disclosed