SCHEMBL6547182

SCHEMBL6547182

[CH2]C(CO)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
PIN1 Q13526 1/20 0.36
MMP8 P22894 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL8541978 0.77 ALDH1A1 (0.48) PKMKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL15484274 0.77 ALDH1A1 (0.48) PKMKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL3576477 0.75
SCHEMBL129566 0.75
SCHEMBL29162182 0.75 CYP4F2 (0.55) PKMKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL371475 0.75 PKM (0.52) PKMKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL29368990 0.73 PKM (0.50) PKMKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL1164946 0.73 CYP4F2 (0.59) PKMKDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL15301624 0.73
SCHEMBL128153 0.73 CYP4F2 (0.44) PKMKDM4ECYP4F2CYP4A11ALDH1A1

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
EP-1379541-A1 LABELED OLIGONUCLEOTIDES, METHODS FOR MAKING SAME, AND COMPOUNDS USEFUL THEREFOR ISIS Pharmaceuticals, Inc. (US) 2004-01-14 EP disclosed
WO-2002079216-A1 LABELED OLIGONUCLEOTIDES, METHODS FOR MAKING SAME, AND COMPOUNDS USEFUL THEREFOR ISIS PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed