SCHEMBL8661664

SCHEMBL8661664

O=CCCC(=O)NCCCCCC(=O)OO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
CASP2 P42575 1/20 0.41
SLC6A5 Q9Y345 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
BCHE P06276 1/20 0.39
CHRM2 P08172 1/20 0.39
ACHE P22303 1/20 0.39
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5032027 0.81 ALDH1A1 (0.42) EPHX2HDAC6ALDH1A1TSHR
SCHEMBL14946562 0.79 EPHX2 (0.62) EPHX2SLC6A5HDAC3HDAC4HDAC1
SCHEMBL22211291 0.79 MEN1 (0.65) EPHX2CASP2SLC6A5NAAAMEN1
SCHEMBL17776037 0.78 EPHX2 (0.56) EPHX2CASP2SLC6A5MEN1KMT2A
SCHEMBL38540 0.78 CASP2 (0.65) EPHX2CASP2SLC6A5NAAAL3MBTL1
SCHEMBL1172879 0.78 CASP2 (0.65) EPHX2CASP2SLC6A5NAAAL3MBTL1
SCHEMBL38282 0.78 CASP2 (0.65) EPHX2CASP2SLC6A5NAAAL3MBTL1
SCHEMBL1890876 0.78 CASP2 (0.65) EPHX2CASP2SLC6A5NAAAL3MBTL1
SCHEMBL1889242 0.78 CASP2 (0.65) EPHX2CASP2SLC6A5NAAAL3MBTL1
SCHEMBL1887339 0.78 CASP2 (0.65) EPHX2CASP2SLC6A5NAAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711277-B1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1998-10-14 EP disclosed
US-5672295-A INHIBIT DYE TRANSFER LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-09-30 US disclosed
EP-0711277-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-05-15 EP disclosed
WO-1995003276-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed