SCHEMBL8014971

SCHEMBL8014971

O=C1CCCCC(C(=O)c2ccccc2)N1.O=C1CCCCC(C(=O)c2ccccc2)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.57
KDM4E B2RXH2 1/20 0.42
MME P08473 6/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE P12821 2/20 0.40
CNR2 P34972 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL38409 1.00 MCL1 (0.57) MCL1KDM4EMMEMAPTALDH1A1
SCHEMBL8645790 0.98 MCL1 (0.55) MCL1KDM4EMMEMAPTALDH1A1
SCHEMBL38246 0.95 MCL1 (0.50) MCL1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL993051 0.92 MCL1 (0.45) MCL1MMEACECNR2MEN1
Caprolactam SCHEMBL8635740 0.90 MCL1 (0.48) MCL1MMEACECRBNSMN1; SMN2
SCHEMBL1933595 0.90 MCL1 (0.44) MCL1MMEACEMEN1KMT2A
SCHEMBL10531994 0.90 MCL1 (0.44) MCL1MMEACEMEN1KMT2A
SCHEMBL991131 0.89 MCL1 (0.44) MCL1KDM4EMMEALDH1A1ACE
SCHEMBL8533046 0.88 MCL1 (0.49) MCL1MAPTALDH1A1L3MBTL1CNR2
SCHEMBL8533043 0.88 MCL1 (0.49) MCL1MAPTALDH1A1L3MBTL1CNR2

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-0861315-A4 DETERGENTS DELIVERING A STRONGER ORGANIC PEROXYACID BLEACH TO A WASH FIRST FOLLOWED BY DELIVERING A WEAKER PEROXYACID PROCTER & GAMBLE (US) 2000-01-19 EP disclosed
EP-0861315-A1 DETERGENTS DELIVERING A STRONGER ORGANIC PEROXYACID BLEACH TO A WASH FIRST FOLLOWED BY DELIVERING A WEAKER PEROXYACID THE PROCTER & GAMBLE COMPANY (US) 1998-09-02 EP disclosed
WO-1997013835-A1 DETERGENTS DELIVERING A STRONGER ORGANIC PEROXYACID BLEACH TO A WASH FIRST FOLLOWED BY DELIVERING A WEAKER PEROXYACID THE PROCTER & GAMBLE COMPANY (US) 1997-04-17 WO disclosed