SCHEMBL21702870

SCHEMBL21702870

CCC(N)C(=O)OCCC(=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
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
GRM8 O00222 1/20 0.40

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
SCHEMBL21702875 0.88 ALDH1A1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15623792 0.84 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL12582831 0.80 HCAR2 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL12583052 0.80 HCAR2 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL16670927 0.80 SLC7A5 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3714789 0.79 PTGS1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7599853 0.79 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7599850 0.79 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25199857 0.78 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13559328 0.78 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1GSRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020030663-A1 CLEAVABLE LINKER FOR PEPTIDE SYNTHESIS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 WO disclosed