SCHEMBL2163387

SCHEMBL2163387

C=C(NCC(=O)O)OC(C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGLN1 Q9GZT9 2/20 0.36
ECE1 P42892 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CTH P32929 1/20 0.33
ACACB O00763 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL167464 0.77 MAPT (0.42) ALDH1A1MAPTPTGS2LMNATDP1
Hydrochloric Acid SCHEMBL1249763 0.75 MAPT (0.41) ALDH1A1MAPTPTGS2LMNATDP1
SCHEMBL28024880 0.74 ALDH1A1 (0.40) ALDH1A1MAPTPTGS2LMNATDP1
SCHEMBL350857 0.71
SCHEMBL9618413 0.70 ALDH1A1 (0.46) ALDH1A1TRPV1MTNR1AMTNR1BTHRB
SCHEMBL27581286 0.68 ALDH1A1 (0.55) ALDH1A1MAPTPTGS2LMNATDP1
SCHEMBL10499840 0.68 TSHR (0.50) ALDH1A1MAPTPTGS2TDP1TRPV1
SCHEMBL8735296 0.66 EGLN1 (0.59) ALDH1A1MAPTPTGS2LMNATDP1
SCHEMBL10391331 0.66
Aceturic Acid SCHEMBL28850599 0.66 CTH (0.48) ALDH1A1MAPTPTGS2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883388-B1 ACHIEVING A DEODORISING EFFECT WITH AMINOACID DERIVATES UNILEVER PLC (GB) 2013-10-09 EP disclosed
US-20110182840-A1 DEODORANT COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2011-07-28 US disclosed
US-20090156680-A1 Deodorants Containing Aminoacid Derivatives CONOPCO, INC. D/B/A/ UNILEVER 2009-06-18 US disclosed
EP-1883388-A1 DEODORANTS CONTAINING AMINOACID DERIVATES Unilever Plc (GB) 2008-02-06 EP disclosed
WO-2006125503-A1 DEODORANTS CONTAINING AMINOACID DERIVATES UNILEVER PLC (GB) 2006-11-30 WO disclosed