SCHEMBL5012046

SCHEMBL5012046

CCOC(=O)NCCCCCCNC(=O)OCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.49
EPHX1 P07099 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL27712904 0.87 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL7781306 0.87 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL12417367 0.87 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL1023071 0.87 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL13073328 0.85 ACHE (0.66) ACHEEPHX1
SCHEMBL7570219 0.84 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL13617115 0.84 ACHE (0.48) ACHEEPHX1TDP1HDAC3HDAC4
SCHEMBL18869307 0.84 TDP1 (0.61) ACHEEPHX1TDP1CA12CA1
SCHEMBL13617112 0.81 ACHE (0.50) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL12390787 0.81 ACHE (0.46) ACHETDP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504017-B1 COLOURED CURABLE COMPOSITION FOR ADDITIVE MANUFACTURING PROCESSES, 3-DIM COMPOSITE ARTICLE AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2022-03-30 EP disclosed
EP-1951183-A2 RESTORING MATERIALS CONTAINING NANOCRYSTALLINE EARTH ALKALINE FILLERS S & C Polymer Silicon- und Composite-Spezialitäten GmbH (DE) 2008-08-06 EP disclosed
EP-1802700-A2 LOW-VISCOSITY, RADIATION-CURABLE FORMULATION FOR PRODUCING ADAPTIVE EAR PIECES Dreve Otoplastik GmbH (DE) 2007-07-04 EP disclosed
WO-2007054266-A2 RESTORING MATERIALS CONTAINING NANOCRYSTALLINE EARTH ALKALINE FILLERS S & C POLYMER, SILICON-UND COMPOSITE SPEZIALITÄTEN GMBH (DE) 2007-05-18 WO disclosed
WO-2006042514-A2 LOW-VISCOSITY, RADIATION-CURABLE FORMULATION FOR PRODUCING ADAPTIVE EAR PIECES DREVE OTOPLASTIK GMBH (DE) 2006-04-27 WO disclosed