SCHEMBL5177232

SCHEMBL5177232

C=CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NOD1 Q9Y239 8/20 0.51
SLC6A5 Q9Y345 2/20 0.51
GNPAT O15228 1/20 0.46
ABCC4 O15439 1/20 0.45
MAPT P10636 1/20 0.45
FAAH O00519 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL7043975 1.00 ALDH1A1 (0.51) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL452804 0.88 ABCC4 (0.56) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL452803 0.88 ABCC4 (0.56) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL2894648 0.88 SLC6A5 (0.59) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL2897531 0.88 SLC6A5 (0.59) ALDH1A1NOD1SLC6A5GNPATABCC4
SCHEMBL7045660 0.88 NOD1 (0.63) NOD1SLC6A5GNPATKMT2A
SCHEMBL7047220 0.88 NOD1 (0.63) NOD1SLC6A5GNPATKMT2A
SCHEMBL7046045 0.86 NOD1 (0.60) NOD1SLC6A5GNPATKMT2A
SCHEMBL24805419 0.83 NOD1 (0.58) NOD1SLC6A5GNPATEPHX2
SCHEMBL7602122 0.83 NOD1 (0.58) NOD1SLC6A5GNPATEPHX2

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-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP claimed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 US claimed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 US claimed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP claimed
US-7264956-B2 N-alpha-acyl-glutamine-aminoacylase for identifying enzyme inhibitors which prevent/supress sweating odor; deodorants GIVAUDAN SA (CH) 2007-09-04 US disclosed
EP-1811034-A2 Compounds and method for inhibiting axillary malodour Givaudan SA (CH) 2007-07-25 EP disclosed
EP-1387891-B1 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2007-03-14 EP disclosed
EP-1387891-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR Givaudan SA (CH) 2004-02-11 EP disclosed
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP disclosed
WO-2002092024-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2002-11-21 WO disclosed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 US disclosed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 US disclosed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed