SCHEMBL4889822

SCHEMBL4889822

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.43
MAPK8 P45983 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
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
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL23793834 0.90 GNAI3 (0.44) GAAKDM4EKMT2AMAPK8GNAI3
SCHEMBL21236012 0.89 GNAI3 (0.50) GAAKDM4EKMT2AMAPK8GNAI3
SCHEMBL24850469 0.88 GAA (0.45) GAAKDM4EKMT2AMAPK8L3MBTL1
SCHEMBL316348 0.88 SMN1; SMN2 (0.48) GAAKDM4EKMT2AMAPK8GNAI3
SCHEMBL4408312 0.87 GNAI3 (0.52) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL23793654 0.87 GNAI3 (0.52) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL271981 0.87 GNAI3 (0.52) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL9403437 0.87 GNAI3 (0.52) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL8906309 0.87 GNAI3 (0.52) KMT2AGNAI3GNAO1GNAI1MEN1
SCHEMBL2594522 0.86 MAOB (0.47) GAAKDM4EMAPK8L3MBTL1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064899-A1 Method For Producing Alpha, Beta-Unsaturated Carboxylic Acid KAWATO SEIICHI 2008-03-13 US disclosed