SCHEMBL2163632

SCHEMBL2163632

CC(N)NC(CCO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
TGFBR1 P36897 2/20 0.39
GABRR1 P24046 2/20 0.35
SLC7A5 Q01650 2/20 0.35
FOLH1 Q04609 3/20 0.35

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
SCHEMBL25761614 0.83 ALDH1A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28581576 0.83 TGFBR1 (0.52) TGFBR1SLC7A5FOLH1NAALAD2ALDH1A1
SCHEMBL16750035 0.83 ALDH1A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1934656 0.83 TGFBR1 (0.52) TGFBR1SLC7A5FOLH1NAALAD2ALDH1A1
SCHEMBL465452 0.83 ALDH1A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4947915 0.82 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15387335 0.80 KMT2A (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4783069 0.80 FOLH1 (0.45) GABRR1FOLH1
SCHEMBL4783065 0.80 FOLH1 (0.45) GABRR1FOLH1
SCHEMBL27546760 0.80 KMT2A (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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

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