SCHEMBL173858

SCHEMBL173858

CCCCCCCCCCCCNNC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.50
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC2 Q92769 3/20 0.45
FAAH O00519 1/20 0.43
ACHE P22303 6/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL28114420 1.00 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2FAAH
SCHEMBL11090012 0.98 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2FAAH
SCHEMBL12809439 0.92 ACHE (0.48) HDAC1HDAC3HDAC2ACHEHDAC11
SCHEMBL473278 0.87 EPHX1 (0.56) EPHX1ACHE
SCHEMBL4736240 0.87 EPHX1 (0.56) EPHX1ACHE
SCHEMBL473161 0.85 EPHX1 (0.53) EPHX1ACHE
SCHEMBL12841650 0.84 GAA (0.44) HDAC1HDAC3HDAC2ACHE
SCHEMBL27709796 0.83 EPHX1 (0.44) EPHX1HDAC1HDAC3HDAC2FAAH
SCHEMBL2987477 0.80 EPHX1 (0.70) EPHX1ACHE
SCHEMBL4647121 0.80 EPHX1 (0.70) EPHX1ACHE

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-2611872-A1 INKJET PRINTING FLUID Eastman Kodak Company (US) 2013-07-10 EP disclosed
WO-2012030546-A1 INKJET PRINTING FLUID EASTMAN KODAK COMPANY (US) 2012-03-08 WO disclosed