SCHEMBL7426413

SCHEMBL7426413

N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
ANPEP P15144 3/20 0.55
ERAP2 Q6P179 2/20 0.55
ERAP1 Q9NZ08 2/20 0.55
LAP3 P28838 1/20 0.55
ENPEP Q07075 1/20 0.55
CYP1A2 P05177 1/20 0.53
SLC7A5 Q01650 2/20 0.51
FOLH1 Q04609 2/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.48
CPA1 P15085 2/20 0.47
CPA3 P15088 2/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
ACE P12821 1/20 0.47
MME P08473 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47

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
SCHEMBL7440641 1.00 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL8893790 1.00 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL7440636 1.00 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL7436920 0.96 SLC7A5 (0.56) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL7436928 0.96 SLC7A5 (0.56) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL7436306 0.93 SLC1A3 (0.68) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL7436311 0.93 SLC1A3 (0.68) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL4063823 0.90 ERAP2 (0.48) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL7434946 0.87 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ANPEPERAP2
SCHEMBL8893218 0.87 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed