SCHEMBL3706491

SCHEMBL3706491

NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
GLO1 Q04760 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ITGB3 P05106 4/20 0.35
ITGB1 P05556 3/20 0.35
ITGAV P06756 3/20 0.35
ITGA5 P08648 3/20 0.35
MDM4 O15151 1/20 0.35
ECE1 P42892 4/20 0.35
TERT O14746 1/20 0.35
MDM2 Q00987 2/20 0.34
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34

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
SCHEMBL547267 1.00 PTGS1 (0.42) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL6675010 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL6823837 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL7257306 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL7571368 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL18396457 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL8436887 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL8213852 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL6130183 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A
SCHEMBL8214832 0.98 PTGS1 (0.41) PTGS1GSTK1GLO1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981438-A Process for producing glucuronic acid 池田食研株式会社 2022-08-30 CN disclosed
CN-114466866-A Rubisco binding protein motifs and uses thereof 普林斯顿大学理事 2022-05-10 CN disclosed
CN-114466928-A Starch core-like structure 爱丁堡大学理事会 2022-05-10 CN disclosed
CN-110819606-B Rice receptor cytoplasmic kinase OsRLCK22 and coding gene and application thereof 中国农业科学院作物科学研究所 2021-08-17 CN disclosed
CN-112601452-A Benzophin bicarbonate transporter from green algae 路易斯安那州立大学监事会和农机学院 2021-04-02 CN disclosed
CN-110819606-A Rice receptor cytoplasmic kinase OsRLCK22 and coding gene and application thereof 中国农业科学院作物科学研究所 2020-02-21 CN disclosed
CN-101768213-B Protein related to plant tillering number and encoding gene and application thereof INST GENETICS & DEV BIOLOG CAS 2012-05-30 CN disclosed
WO-2010076766-A1 GENES ASSOCIATED WITH PLANT TILLER NUMBER AND USES THEREOF INSTITUTE OF GENETICS AND DEVELOPMENTAL BIOLOGY (CN) 2010-07-08 WO disclosed
CN-101768213-A Protein related to plant tillering number and coding gene and application thereof INST GENETICS & DEV BIOLOG CAS 2010-07-07 CN disclosed
CN-1852989-A PKNB kinase and PSTP phosphatase and methods of identifying inhibitory substances PASTEUR INSTITUT (FR) 2006-10-25 CN disclosed