SCHEMBL468712

SCHEMBL468712

CC(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
OPRK1 P41145 5/20 0.37
CPB2 Q96IY4 2/20 0.36
NTSR2 O95665 1/20 0.34
NTSR1 P30989 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
F2 P00734 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL7903286 0.87 CPB2 (0.36) ITGB3ITGA2BOPRK1CPB2SLC6A5
SCHEMBL3277465 0.75 DPP7 (0.45) ITGB3ITGA2B
SCHEMBL468887 0.74 SLC6A5 (0.54) ITGB3ITGA2BCPB2SIRT6SIRT1
SCHEMBL468889 0.74 SLC6A5 (0.54) ITGB3ITGA2BCPB2SIRT6SIRT1
SCHEMBL468714 0.72 ITGB3 (0.49) ITGB3ITGA2BCPB2SIRT6SIRT1
SCHEMBL4653470 0.72 FURIN (0.45) SIRT6SIRT1SLC6A5F2
SCHEMBL4653469 0.72 FURIN (0.45) SIRT6SIRT1SLC6A5F2
SCHEMBL468718 0.69 ATM (0.45) ITGB3ITGA2BCPB2SIRT6SIRT1
SCHEMBL20013183 0.69 SIRT6 (0.44) ITGB3ITGA2BSIRT6SIRT1SLC6A5
SCHEMBL16494900 0.69 SLC6A5 (0.43) ITGB3ITGA2BCPB2SIRT6SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311452-B2 Topical composition comprising n-acetyl glucosamine YU RUEY J (US) 2020-12-30 EP disclosed
EP-2311452-B9 Topical composition comprising n-acetyl glucosamine YU RUEY J (US) 2014-12-24 EP disclosed
US-RE44302-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-06-18 US disclosed
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US disclosed
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US disclosed
EP-2311452-A1 Topical composition comprising n-acetyl glucosamine Yu, Ruey J. (US) 2011-04-20 EP disclosed
US-RE41339-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2010-05-18 US disclosed
US-RE41278-E1 N-acetyl aldosamines and related N-acetyl compounds, and their topical use TRISTRATA, INC. 2010-04-27 US disclosed
EP-2080504-A2 Topical composition comprising n-acetylaldosamines or n-acetylamino acids Yu, Ruey J. (US) 2009-07-22 EP disclosed
EP-1639994-A2 Topical composition comprising N-acetylaldosamines or N-acetylamino acids Yu, Ruey J., Dr. (US) 2006-03-29 EP disclosed
EP-1570840-A2 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS Yu, Ruey J., Dr. (US) 2005-09-07 EP disclosed
US-6524593-B1 Alleviate or improve various cosmetic conditions and dermatological disorders, skin, hair, nails TRISTRATA, INC. 2003-02-25 US disclosed
US-6159485-A COSMETICS; SKIN DISORDERS YUGENIC LIMITED PARTNERSHIP (US) 2000-12-12 US disclosed