SCHEMBL8398141

SCHEMBL8398141

C[C@@H](CCCC(=O)O)[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
ALDH1A1 P00352 1/20 0.48
ENPEP Q07075 4/20 0.48
CYP1A2 P05177 2/20 0.45
GRM8 O00222 1/20 0.45

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
SCHEMBL5322012 0.88 KMT2A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4716019 0.87 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28475312 0.83 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13658757 0.82 LMNA (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2420748 0.81 GSR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8015462 0.81 GSR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2420751 0.81 GSR (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5296286 0.81 SLC1A2 (0.50) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL8666519 0.81 SLC1A2 (0.50) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL31370048 0.81 SLC1A2 (0.50) ALDH1A1GRIK1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915829-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998005625-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.P.A. (IT) 1998-02-12 WO disclosed