SCHEMBL8893130

SCHEMBL8893130

N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
CYP1A2 P05177 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 2/20 0.47
FOLH1 Q04609 2/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
CPA1 P15085 2/20 0.43
CPA3 P15088 2/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL8893128 1.00 SLC1A1 (0.54) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL4064868 0.91 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL8893218 0.88 SLC1A3 (0.57) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL8893214 0.88 SLC1A3 (0.57) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL7434946 0.88 SLC1A3 (0.57) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL7434949 0.88 SLC1A3 (0.57) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL7436306 0.88 SLC1A3 (0.68) SLC1A1SLC1A3SLC1A2CYP1A2FOLH1
SCHEMBL7436311 0.88 SLC1A3 (0.68) SLC1A1SLC1A3SLC1A2CYP1A2FOLH1
SCHEMBL7434192 0.84 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2CYP1A2PPARG
SCHEMBL7434194 0.84 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2CYP1A2PPARG

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
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