SCHEMBL2358679

SCHEMBL2358679

[2H]N[C@@H](CC(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.78
▸ SLC1A3 P43003 1/20 0.78
▸ SLC1A2 P43004 1/20 0.78
▸ CYP1A2 P05177 1/20 0.61
▸ ALPI P09923 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ XIAP P98170 1/20 0.58
▸ SLC7A5 Q01650 1/20 0.58
▸ CPA3 P15088 3/20 0.54
▸ CPA1 P15085 2/20 0.54
▸ FOLH1 Q04609 2/20 0.54
▸ CPB1 P15086 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ GRIK1 P39086 1/20 0.53
▸ ANPEP P15144 1/20 0.52
▸ RNPEP Q9H4A4 1/20 0.52
▸ DNPEP Q9ULA0 1/20 0.52
▸ GRM2 Q14416 1/20 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
SCHEMBL8377822 0.88 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
SCHEMBL133913 0.88 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
SCHEMBL130817 0.88 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
SCHEMBL2265548 0.88 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
SCHEMBL8959957 0.86 SLC1A1 (0.96) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
Dl-Phenylalanine SCHEMBL3439692 0.84 SLC7A5 (0.74) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
Dl-Phenylalanine SCHEMBL2939606 0.84 SLC7A5 (0.74) SLC1A1SLC1A3SLC1A2CYP1A2ALPI
SCHEMBL9622038 0.84 CYP1A2 (0.86) SLC1A1SLC1A3SLC1A2CYP1A2CPA3
SCHEMBL7439697 0.84 CYP1A2 (0.86) SLC1A1SLC1A3SLC1A2CYP1A2CPA3
SCHEMBL7432418 0.84 CYP1A2 (0.86) SLC1A1SLC1A3SLC1A2CYP1A2CPA3

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-2350168-A1 POLYSACCHARIDE- AND POLYPEPTIDE-BASED BLOCK COPOLYMERS, VESICLES CONSTITUTED OF THESE COPOLYMERS AND USE THEREOF Université Bordeaux 1 (FR) 2011-08-03 — — EP disclosed
WO-2010049611-A1 POLYSACCHARIDE- AND POLYPEPTIDE-BASED BLOCK COPOLYMERS, VESICLES CONSTITUTED OF THESE COPOLYMERS AND USE THEREOF UNIVERSITE BORDEAUX 1 (FR) 2010-05-06 — — WO disclosed
Send feedback