SCHEMBL2700958

SCHEMBL2700958

CCOCC(C)OCC(C)OC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL104602 0.92 MEN1 (0.34) TDP1MEN1CYP2C19RECQLKMT2A
SCHEMBL27646136 0.87 TDP1 (0.36) TDP1MEN1CYP2C19RECQLKMT2A
SCHEMBL11290293 0.86 TDP1 (0.58) TDP1
SCHEMBL4592181 0.85 HSD17B10 (0.41) TDP1MEN1CYP2C19RECQLKMT2A
SCHEMBL27646105 0.85 TDP1 (0.39) TDP1MEN1CYP2C19RECQLKMT2A
SCHEMBL896036 0.83 TSHR (0.42) TDP1
SCHEMBL223952 0.83 TDP1 (0.36) TDP1MEN1CYP2C19RECQLKMT2A
SCHEMBL429531 0.83 TSHR (0.42) TDP1
SCHEMBL181619 0.83 NAAA (0.34) TDP1MEN1CYP2C19RECQLKMT2A
SCHEMBL6062790 0.83 NAAA (0.34) TDP1MEN1CYP2C19RECQLKMT2A

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
EP-2230282-B1 Oil-based inkjet recording ink FUJIFILM CORP (JP) 2012-05-09 EP disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2230282-A1 Oil-based inkjet recording ink FUJIFILM Corporation (JP) 2010-09-22 EP disclosed