SCHEMBL4945779

SCHEMBL4945779

CC(O)C(N)CNCC(=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
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL608863 0.80
SCHEMBL16128281 0.80
SCHEMBL10924286 0.80
SCHEMBL8197521 0.80
SCHEMBL28833553 0.78 ALDH1A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL287612 0.78
SCHEMBL287613 0.78
SCHEMBL7219713 0.78
Isopropylamine SCHEMBL27578658 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Threonine SCHEMBL3917668 0.75 SLC7A5 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1895979-B1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD (JP) 2014-03-12 EP disclosed
EP-1895979-A1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE Dow Corning Toray Co., Ltd. (JP) 2008-03-12 EP disclosed
WO-2006137576-A1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO., LTD. (JP) 2006-12-28 WO disclosed