SCHEMBL27562071

SCHEMBL27562071

N[C@@H](CN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ TYR P14679 1/20 0.45
▸ DOHH Q9BU89 1/20 0.45
▸ GRIA1 P42261 7/20 0.44
▸ GRIA2 P42262 7/20 0.44
▸ GRIA4 P48058 7/20 0.44
▸ GRIK5 Q16478 5/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ SLC7A11 Q9UPY5 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ GRM1 Q13255 1/20 0.43

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
SCHEMBL10077574 0.80 GRM5 (0.46) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL8481264 0.78 PTGS1 (0.42) CYP1A2BLMALDH1A1MAPK1CYP2C19
SCHEMBL17254420 0.77 MGLL (0.38) CYP1A2BLMALDH1A1MAPK1CYP2C19
SCHEMBL14679245 0.76 MGLL (0.55) ALDH1A1MAPK1PTGS1PTGS2PKM
SCHEMBL22687997 0.76 MGLL (0.55) ALDH1A1MAPK1PTGS1PTGS2PKM
N-Ethylmaleimide SCHEMBL22397763 0.76 PTGS1 (0.55) GRIA1GRIA2GRIA4CYP1A2SLC7A11
SCHEMBL7165635 0.75 APAF1 (0.43) CYP1A2BLMALDH1A1CYP2C19HIF1A
Hydrochloric Acid SCHEMBL22657871 0.74 MGLL (0.53) BLMALDH1A1MAPK1PTGS1PTGS2
Hydrochloric Acid SCHEMBL22657875 0.74 MGLL (0.53) BLMALDH1A1MAPK1PTGS1PTGS2
Hydrochloric Acid SCHEMBL28705925 0.74 MGLL (0.53) BLMALDH1A1MAPK1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105612172-A Cyclic polypeptides for the treatment of heart failure NOVARTIS AG 2016-05-25 — — CN disclosed
CN-101980725-B Prodrug comprising a drug linker conjugate ASCENDIS PHARMA AS 2013-06-12 — — CN disclosed
CN-101980725-A Prodrug comprising a drug linker conjugate ASCENDIS PHARMA AS 2011-02-23 — — CN disclosed
CN-1246323-C Nitrogen-based camptothecin derivatives CALIFORNIA PACIFIC MED CENTER (US) 2006-03-22 — — CN disclosed
CN-1555385-A Ligands to enhance cellular uptake of biomolecules �����ɷ� 2004-12-15 — — CN disclosed
CN-1454097-A Polymer-modified synthetic proteins GRYPHON SCIENCES (US) 2003-11-05 — — CN disclosed
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