SCHEMBL5680979

SCHEMBL5680979

CC(O)CC[N+](C)(C)C(CCC(=O)O)(CC(C)O)C(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
CYP1A2 P05177 1/20 0.33
BBOX1 O75936 1/20 0.31

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
SCHEMBL5374806 0.85
SCHEMBL2842930 0.71 BBOX1 (0.31) BBOX1
SCHEMBL4620836 0.70 BBOX1 (0.31) BBOX1
SCHEMBL4952557 0.64 CYP1A2 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16026399 0.64 CYP1A2 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1124238 0.62 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL264824 0.62
SCHEMBL27394 0.62
SCHEMBL265217 0.62
SCHEMBL29204125 0.61 FFAR4 (0.57) 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
EP-3143116-A1 AN ANTIMICROBIAL HAND WASH COMPOSITION The Dial Corporation (US) 2017-03-22 EP disclosed
WO-2015175129-A1 AN ANTIMICROBIAL HAND WASH COMPOSITION THE DIAL CORPORATION (US) 2015-11-19 WO disclosed
EP-1691859-A1 GLOVE WITH MEDICATED POROUS BEADS Kimberly-Clark Worldwide, Inc. (US) 2006-08-23 EP disclosed
EP-1631625-A1 COMPOSITION FOR FORMING AN ELASTOMERIC ARTICLE Kimberly-Clark Worldwide, Inc. (US) 2006-03-08 EP disclosed
EP-1620030-A1 METHOD OF TREATING THE SURFACE CHARACTERISTICS OF AN ELASTOMERIC ARTICLE Kimberly-Clark Worldwide, Inc. (US) 2006-02-01 EP disclosed
WO-2005056074-A1 GLOVE WITH MEDICATED POROUS BEADS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2005-06-23 WO disclosed
WO-2004111129-A1 COMPOSITION FOR FORMING AN ELASTOMERIC ARTICLE KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-12-23 WO disclosed
WO-2004105525-A1 READILY DONNED ELASTOMERIC ARTICLE KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-12-09 WO disclosed
WO-2004098431-A1 METHOD OF TREATING THE SURFACE CHARACTERISTICS OF AN ELASTOMERIC ARTICLE KIMBERLY-CLARK WORLDWIDE INC. (US) 2004-11-18 WO disclosed