SCHEMBL468718

SCHEMBL468718

CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1C[C@H](O)C[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
ACE P12821 6/20 0.42
KEAP1 Q14145 1/20 0.38
ACE2 Q9BYF1 1/20 0.35
FOLH1 Q04609 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CTSB P07858 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
SCHEMBL28746476 0.88 ACE (0.46) ATMITGB3ITGA2BACEFOLH1
SCHEMBL7903306 0.88 ACE (0.46) ATMITGB3ITGA2BACEFOLH1
SCHEMBL31158132 0.83 ACE (0.38) ATMITGB3ITGA2BACEFOLH1
SCHEMBL468714 0.82 ITGB3 (0.49) ITGB3ITGA2BACEACE2SIRT6
SCHEMBL30490598 0.80 ACE (0.44) ATMACECTSB
SCHEMBL29935492 0.80 ITGB3 (0.47) ITGB3ITGA2BACE
SCHEMBL11397295 0.79 ITGB3 (0.52) ATMITGB3ITGA2BACE
SCHEMBL30471736 0.79 ATM (0.42) ATMITGB3ITGA2BACECTSB
SCHEMBL11397298 0.79 ITGB3 (0.52) ATMITGB3ITGA2BACE
SCHEMBL28809333 0.77 ATM (0.54) ATMITGB3ITGA2BACE

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