SCHEMBL4966736

SCHEMBL4966736

CC(N)C(=O)NC(CS)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
GSTK1 Q9Y2Q3 1/20 0.58
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
PTGS2 P35354 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACE P12821 5/20 0.46
MME P08473 5/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ECE1 P42892 2/20 0.41
GLO1 Q04760 1/20 0.39
BLM P54132 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
NPEPPS P55786 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4966748 1.00 PTGS1 (0.58) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL29379914 0.90 PTGS1 (0.50) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL31391105 0.87 PTGS1 (0.50) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL29351498 0.85 ALDH1A1 (0.47) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL29637953 0.85 PTGS1 (0.64) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL24130552 0.85 ALDH1A1 (0.47) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL29410682 0.85 ALDH1A1 (0.47) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL17283446 0.85 ALDH1A1 (0.47) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL3495921 0.83 ALDH1A1 (0.46) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL6657992 0.83 ALDH1A1 (0.46) PTGS1GSTK1ALDH1A1MAPTPTGS2

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-1959919-A1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2008-08-27 EP disclosed
WO-2007068401-A1 HAIR TREATMENT COMPOSITIONS UNILEVER PLC (GB) 2007-06-21 WO disclosed
US-6679761-B1 CHEMICAL MECHANICAL POLISHING; ABRASIVE GRAINS, A PEPTIDE, AN OXIDIZER SUSPENDED IN AQUEOUS MEDIUM SEIMI CHEMICAL CO., LTD. (JP) 2004-01-20 US disclosed
EP-1235261-A1 POLISHING COMPOUND FOR SEMICONDUCTOR CONTAINING PEPTIDE Seimi Chemical Co., Ltd. (JP) 2002-08-28 EP disclosed