SCHEMBL6423726

SCHEMBL6423726

O=C(O)CCN[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.57
MME P08473 1/20 0.52
KEAP1 Q14145 1/20 0.52
ACE P12821 2/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.50
FFAR1 O14842 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
Alanine SCHEMBL7382718 0.92 GGT1 (0.50) GGT1MMEKEAP1ACENAALAD2
SCHEMBL7758672 0.92 GGT1 (0.50) GGT1MMEKEAP1ACENAALAD2
Homophenylalanine SCHEMBL7383933 0.92 GGT1 (0.50) GGT1MMEKEAP1ACENAALAD2
Glutamic Acid SCHEMBL7375280 0.90 GGT1 (0.49) GGT1MMEKEAP1ACENAALAD2
SCHEMBL7427350 0.89 GGT1 (0.48) GGT1MMEKEAP1ACENAALAD2
Serine SCHEMBL7384366 0.89 GGT1 (0.48) GGT1MMEKEAP1ACENAALAD2
Phenylalanine SCHEMBL7432097 0.89 ALPI (0.56) GGT1MMEKEAP1ACENAALAD2
SCHEMBL7383218 0.88 GGT1 (0.53) GGT1MMEACENAALAD2HDAC3
Valine SCHEMBL7377141 0.88 GGT1 (0.47) GGT1MMEKEAP1ACENAALAD2
SCHEMBL27495948 0.87 NAALAD2 (0.57) GGT1KEAP1NAALAD2FFAR1HDAC3

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-1572661-A1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME Lupin Limited (IN) 2005-09-14 EP disclosed
WO-2004054980-A1 CRYSTALLINE FORM OF QUINAPRIL HYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME LUPIN LIMITED (IN) 2004-07-01 WO disclosed