SCHEMBL6835556

SCHEMBL6835556

CC(=O)NC(NC(C)=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
MAPT P10636 1/20 0.70
THRB P10828 1/20 0.70
ALOX15 P16050 1/20 0.70
NFKB1 P19838 1/20 0.70
PTGS2 P35354 1/20 0.70
THPO P40225 1/20 0.70
RECQL P46063 1/20 0.70
BLM P54132 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ACE P12821 1/20 0.48
ALDH1A1 P00352 2/20 0.47
FOLH1 Q04609 3/20 0.42
TGFBR1 P36897 3/20 0.36
NAALAD2 Q9Y3Q0 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GNPAT O15228 1/20 0.34
MME P08473 1/20 0.33
MEN1 O00255 1/20 0.32

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
Acetylcysteine SCHEMBL1384791 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923959 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437351 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL149212 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437350 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923962 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL3688241 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL5292 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL4433756 0.83 MAPT (1.00) KDM4EMAPTTHRBALOX15NFKB1

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
US-6743429-B2 Use of calcitonin gene-related peptide in the prevention and alleviation of asthma and related bronchospastic pulmonary diseases SHERBROOKE UNIVERSITY (CA) 2004-06-01 US claimed
US-6743429-B2 Use of calcitonin gene-related peptide in the prevention and alleviation of asthma and related bronchospastic pulmonary diseases SHERBROOKE UNIVERSITY (CA) 2004-06-01 US disclosed
US-20020037846-A1 USE OF CALCITONIN GENE-RELATED PEPTIDE IN THE PREVENTION AND ALLEVIATION OF ASTHMA AND RELATED BRONCHOSPASTIC PULMONARY DISEASES UNIVERSITE DE SHERBROOKE (CA) 2002-03-28 US disclosed
WO-1998003534-A1 CALCITONIN GENE-RELATED PEPTIDE RECEPTOR COMPONENT FACTOR (HOUDC44) SMITHKLINE BEECHAM CORPORATION (US) 1998-01-29 WO disclosed
EP-0821061-A2 Calcitonin gene-related peptide receptor component factor (houdc44) SMITHKLINE BEECHAM CORPORATION (US) 1998-01-28 EP disclosed
US-5710024-A Polynucleotides that encode the calcitonin gene-related peptide receptor coponent factor (HOUNDC44) SMITHKLINE BEECHAM CORPORATION (US) 1998-01-20 US disclosed