Segetalin C

Segetalin C

SCHEMBL149059

CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 3/20 0.47
GHSR Q92847 2/20 0.46
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
KEAP1 Q14145 1/20 0.42
ACE P12821 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
Segetalin D SCHEMBL151348 0.87 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29412929 0.81 HDAC4 (0.54) HDAC4GHSR
SCHEMBL24614262 0.80 HDAC4 (0.66) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL31094302 0.79 SMN1; SMN2 (0.61) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL12392880 0.78 HDAC4 (0.69) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL14206285 0.78 HDAC4 (0.69) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL12368077 0.78 HDAC4 (0.69) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29666557 0.78 HDAC4 (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL22192939 0.76 SOAT2 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
Pseudostellarin H SCHEMBL31295693 0.76 KEAP1 (0.55) HDAC4HDAC1GHSRKEAP1

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-2430162-A1 DNA SEQUENCES ENCODING CARYOPHYLLACEAE AND CARYOPHYLLACEAE-LIKE CYCLOPEPTIDE PRECURSORS AND METHODS OF USE National Research Council of Canada (CA) 2012-03-21 EP disclosed
US-20120058905-A1 DNA Sequences Encoding Caryophyllaceae and Caryophyllaceae-Like Cyclopeptide Precursors and Methods of Use COVELLO PATRICK S (CA) 2012-03-08 US disclosed
WO-2010130030-A1 DNA SEQUENCES ENCODING CARYOPHYLLACEAE AND CARYOPHYLLACEAE-LIKE CYCLOPEPTIDE PRECURSORS AND METHODS OF USE NATIONAL RESEARCH COUNSIL OF CANADA (CA) 2010-11-18 WO disclosed