SCHEMBL2594522

SCHEMBL2594522

CCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL8907992 0.87 GNAI3 (0.52) MAOBGNAI3GNAO1GNAI1
SCHEMBL6258606 0.87 GNAI3 (0.52) MAOBGNAI3GNAO1GNAI1
SCHEMBL1272680 0.87 GNAI3 (0.52) MAOBGNAI3GNAO1GNAI1
SCHEMBL6258210 0.87 GNAI3 (0.52) MAOBGNAI3GNAO1GNAI1
SCHEMBL9403390 0.87 GNAI3 (0.52) MAOBGNAI3GNAO1GNAI1
SCHEMBL4889822 0.86 GAA (0.46) MAOBL3MBTL1GAAMTNR1AMTNR1B
SCHEMBL2594876 0.86 MAOB (0.49) MAOBGAAMTNR1AMTNR1BCA1
SCHEMBL30071045 0.85 ALDH1A1 (0.50) MAOBGAACA1CA2CA9
SCHEMBL2302250 0.81 MAOB (0.48) MAOBGAAMTNR1AMTNR1BCA1
SCHEMBL1463813 0.81 MAOB (0.48) MAOBGAACA1CA2CA9

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
US-8454799-B2 Pulp composition for paper and solid board production BASF SE (DE) 2013-06-04 US disclosed
EP-2567024-A1 FIBROUS COMPOSITION FOR PAPER AND CARD PRODUCTION BASF SE (DE) 2013-03-13 EP disclosed
WO-2011138366-A1 FIBROUS COMPOSITION FOR PAPER AND CARD PRODUCTION BASF SE (DE) 2011-11-10 WO disclosed
US-20080064899-A1 Method For Producing Alpha, Beta-Unsaturated Carboxylic Acid KAWATO SEIICHI 2008-03-13 US disclosed