SCHEMBL5159598

SCHEMBL5159598

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
MARS1 P56192 3/20 0.43
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HDAC8 Q9BY41 1/20 0.40

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
Tyrosine SCHEMBL9051836 0.92 SLC7A5 (0.56) SLC7A5
SCHEMBL464778 0.87 ALPI (0.50) SLC7A5
SCHEMBL4453960 0.85 SLC7A5 (0.67) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL27680265 0.85 SLC7A5 (0.67) SLC7A5TAAR1SLC6A2ESR1ESR2
Tyrosine SCHEMBL180585 0.83 SLC7A5 (0.71) SLC7A5TAAR1SLC6A2
Tyrosine SCHEMBL180587 0.83 SLC7A5 (0.71) SLC7A5TAAR1SLC6A2
Tyrosine SCHEMBL28430992 0.83 SLC7A5 (0.71) SLC7A5TAAR1SLC6A2
SCHEMBL9521810 0.81 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL2490445 0.81 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL4279625 0.81 SLC7A5 (0.61) SLC7A5TAAR1SLC6A2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019078697-A2 ANTI-CD3 ANTIBODY AND PHARMACEUTICAL COMPOSITION FOR CANCER TREATMENT COMPRISING SAME 주식회사 녹십자 2019-04-25 WO disclosed
US-20150111816-A1 METHODS AND TREATMENT WITH GLP-1 RECEPTOR AGONISTS PHASEBIO PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140364362-A1 THERAPEUTIC AGENTS COMPRISING INSULIN AMINO ACID SEQUENCES PHASEBIO PHARMACEUTICALS INC (US) 2014-12-11 US disclosed
EP-1750521-A1 METHOD AND SYSTEM FOR SOLUBILIZING PROTEIN The Texas A&M University System (US) 2007-02-14 EP disclosed
WO-2005117602-A1 METHOD AND SYSTEM FOR SOLUBILIZING PROTEIN THE TEXAS A & M UNIVERSITY SYSTEM (US) 2005-12-15 WO disclosed
US-5062935-A METHOD OF VAPORIZING A SAMPLE SUBSTANCE BRUKER-FRANZEN ANALYTIK GMBH (DE) 1991-11-05 US disclosed