SCHEMBL7998715

SCHEMBL7998715

N[C@H](C=O)CCC(=O)O.[CaH2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
NFKB1 P19838 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
BLM P54132 1/20 0.61
SLC6A3 Q01959 1/20 0.61
MEN1 O00255 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
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

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
SCHEMBL68935 0.98
SCHEMBL859458 0.98
SCHEMBL258995 0.98
SCHEMBL15058114 0.95 CYP2D6 (0.61) CYP2D6NFKB1SLC6A2SLC6A4BLM
Hydrochloric Acid SCHEMBL10636409 0.95 CYP2D6 (0.61) CYP2D6NFKB1SLC6A2SLC6A4BLM
Hydrochloric Acid SCHEMBL31395319 0.95 CYP2D6 (0.61) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL28189436 0.95 CYP2D6 (0.61) CYP2D6NFKB1SLC6A2SLC6A4BLM
Aminolevulinic Acid SCHEMBL2446350 0.84 GABRR1 (0.59) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL12019170 0.84 ENPEP (0.52) CYP2D6NFKB1SLC6A2SLC6A4BLM
SCHEMBL11981919 0.82 ENPEP (0.53) CYP2D6NFKB1SLC6A2SLC6A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777672-A4 AMINO ACID CHELATES HAVING IMPROVED PALATABILITY ALBION INT (US) 2000-04-05 EP disclosed
EP-0777672-A1 AMINO ACID CHELATES HAVING IMPROVED PALATABILITY ALBION INTERNATIONAL, INC. (US) 1997-06-11 EP disclosed
US-5516925-A Amino acid chelates having improved palatability ALBION INTERNATIONAL, INC. (US) 1996-05-14 US disclosed
WO-1996006101-A1 AMINO ACID CHELATES HAVING IMPROVED PALATABILITY ALBION INTERNATIONAL, INC. (US) 1996-02-29 WO disclosed