SCHEMBL7601754

SCHEMBL7601754

CC(C)C(N)C(=O)OCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 2/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 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
SCHEMBL7601755 1.00 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8136630 1.00 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Valiloxybate SCHEMBL3730350 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Valiloxybate SCHEMBL3730354 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Valiloxybate SCHEMBL8125478 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Valiloxybate SCHEMBL27165970 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Valiloxybate SCHEMBL34468016 0.86 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7603840 0.86 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27138529 0.86 ALDH1A1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7603837 0.86 ALDH1A1 (0.47) 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
JP-2002503673-A 2002-02-05 JP claimed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP claimed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO claimed