Carnosine

Carnosine

SCHEMBL4939786

NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-].NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-].NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-].[Cr+3]

nearest known ligand 0.36

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
HDAC6 Q9UBN7 4/20 0.32
HDAC1 Q13547 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
SLC15A2 Q16348 1/20 0.31
TERT O14746 2/20 0.30

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
Carnosine SCHEMBL719517 0.97 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCYP2C19LMNA
SCHEMBL2319309 0.87 PARP1 (0.38) CYP3A4CYP2D6TSHRCYP2C19LMNA
Carnosine SCHEMBL1161010 0.87 ITGB3 (0.41) ITGB3ITGA2BSLC15A2
Carnosine SCHEMBL3904964 0.87 ITGB3 (0.41) ITGB3ITGA2BSLC15A2
Carnosine SCHEMBL33769 0.87 ITGB3 (0.41) ITGB3ITGA2BSLC15A2
Carnosine SCHEMBL33768 0.87 ITGB3 (0.41) ITGB3ITGA2BSLC15A2
SCHEMBL4588256 0.87 SLC15A2 (0.36) SLC15A2
SCHEMBL2811070 0.87 SLC15A2 (0.36) SLC15A2
Carnosine SCHEMBL1641133 0.86 ITGB3 (0.40) ITGB3ITGA2BSLC15A2
Carnosine SCHEMBL308693 0.86 ITGB3 (0.40) ITGB3ITGA2BSLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114065-A1 Methods for the treatment of HIV-1 related fat maldistribution, fasting hyperlipidemia and modification of adipocyte physiology BIONEXUS, LTD. 2008-05-15 US disclosed