SCHEMBL3274166

SCHEMBL3274166

CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC.CCCCC(CC)C(=O)OCCOCCOC(=O)C(CC)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.61
CA1 P00915 4/20 0.61
MAPK1 P28482 1/20 0.52
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGKA P23743 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL80805 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL32980 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL33052 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80365 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL417397 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL8349420 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80938 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80087 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL8346686 0.98 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL29725060 0.95 CA2 (0.59) CA2CA1MAPK1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100086744-A1 PRODUCTION OF FILMS FOR COMPOSITE GLAZINGS BY MEANS OF INJECTION MOULDING OR INJECTION STAMPING METHODS KURARAY EUROPE GMBH (DE) 2010-04-08 US disclosed