SCHEMBL7758672

SCHEMBL7758672

O=C(O)CCN[C@H](CCc1ccccc1)C(=O)O.O=C(O)CNCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.50
ACE P12821 3/20 0.48
MME P08473 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.44
KEAP1 Q14145 1/20 0.44
FOLH1 Q04609 1/20 0.43
OPRK1 P41145 1/20 0.42
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7763119 0.94 OPRK1 (0.52) GGT1ACEMMENAALAD2OPRK1
SCHEMBL6423726 0.92 GGT1 (0.57) GGT1ACEMMENAALAD2KEAP1
SCHEMBL7427350 0.87 GGT1 (0.48) GGT1ACEMMENAALAD2KEAP1
Alanine SCHEMBL7382718 0.84 GGT1 (0.50) GGT1ACEMMENAALAD2KEAP1
Homophenylalanine SCHEMBL7383933 0.84 GGT1 (0.50) GGT1ACEMMENAALAD2KEAP1
SCHEMBL27495948 0.83 NAALAD2 (0.57) GGT1NAALAD2KEAP1FOLH1HDAC3
SCHEMBL27495949 0.83 NAALAD2 (0.57) GGT1NAALAD2KEAP1FOLH1HDAC3
Glutamic Acid SCHEMBL7375280 0.83 GGT1 (0.49) GGT1ACEMMENAALAD2KEAP1
SCHEMBL14385198 0.82 MME (0.55) GGT1ACEMMENAALAD2KEAP1
Serine SCHEMBL7384366 0.82 GGT1 (0.48) GGT1ACEMMENAALAD2KEAP1

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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed