SCHEMBL3513112

SCHEMBL3513112

C[C@H](NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 1/20 0.44
TACR1 P25103 5/20 0.43
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
TSG101 Q99816 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CMA1 P23946 3/20 0.35
CTRC Q99895 2/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MAPT P10636 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
SCHEMBL1088249 0.91 TACR1 (0.41) FKBP4TACR1ITGB1ITGA4HDAC3
SCHEMBL1078320 0.91 TACR1 (0.42) FKBP4TACR1PRMT5WDR77TRPV1
SCHEMBL4824283 0.91 PDF (0.43) FKBP4TACR1HDAC3HDAC1HDAC2
SCHEMBL366333 0.90 TACR1 (0.51) FKBP4TACR1ITGB1ITGA4CMA1
SCHEMBL3314831 0.89 TACR1 (0.41) FKBP4TACR1TRPV1MAPTHPGD
SCHEMBL368075 0.88 TACR1 (0.39) FKBP4TACR1ITGB1ITGA4TSG101
SCHEMBL4898024 0.88 TACR1 (0.42) FKBP4TACR1PRMT5WDR77TRPV1
SCHEMBL3926322 0.87 TACR1 (0.41) FKBP4TACR1PRMT5WDR77TRPV1
SCHEMBL7624015 0.85 CMA1 (0.42) ITGB1ITGA4CMA1
SCHEMBL2029990 0.84 TACR1 (0.52) FKBP4TACR1ITGB1ITGA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124603-B1 MILK PROTEIN HYDROLYZATES WITH REDUCED IMMUNOGENIC POTENTIAL DUPONT NUTRITION BIOSCI APS (DK) 2014-11-19 EP disclosed
US-20100273718-A1 Milk Protein Hydrolyzates with Reduced Immunogenic Potential DANISCO A/S (DK) 2010-10-28 US disclosed
EP-2124603-A2 MILK PROTEIN HYDROLYZATES WITH REDUCED IMMUNOGENIC POTENTIAL Danisco US, INC., Genencor Division (US) 2009-12-02 EP disclosed
WO-2008088472-A2 MILK PROTEIN HYDROLYZATES WITH REDUCED IMMUNOGENIC POTENTIAL DANISCO A/S (DK) 2008-07-24 WO disclosed