SCHEMBL6883700

SCHEMBL6883700

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
ESRRA P11474 1/20 0.46
ALDH1A1 P00352 9/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 6/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
CTDSP1 Q9GZU7 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 4/20 0.43
PTPN7 P35236 2/20 0.43
PTPN12 Q05209 2/20 0.43
PTPN22 Q9Y2R2 2/20 0.43
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL6877633 1.00 FDPS (0.46) FDPSESRRAALDH1A1KMT2AMAPT
SCHEMBL6882986 0.91 FDPS (0.56) FDPSALDH1A1KDM4EHTTHPGD
SCHEMBL6882991 0.91 FDPS (0.56) FDPSALDH1A1KDM4EHTTHPGD
SCHEMBL6875479 0.90 FDPS (0.50) FDPSESRRAALDH1A1KMT2AMAPT
SCHEMBL6875471 0.90 FDPS (0.50) FDPSESRRAALDH1A1KMT2AMAPT
SCHEMBL13934768 0.84 FDPS (0.52) FDPSALDH1A1KMT2AMAPTMEN1
SCHEMBL4416182 0.84 FDPS (0.52) FDPSALDH1A1KMT2AMAPTMEN1
SCHEMBL4416176 0.84 FDPS (0.52) FDPSALDH1A1KMT2AMAPTMEN1
SCHEMBL18936864 0.81 FDPS (0.70) FDPSKDM4EBCHEACHE
SCHEMBL9952708 0.81 FDPS (0.70) FDPSKDM4EBCHEACHE

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