SCHEMBL6523945

SCHEMBL6523945

NC(Cc1ccc(O)cc1)C(=O)OS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.57
TAAR1 Q96RJ0 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
SLC6A2 P23975 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
DPP4 P27487 1/20 0.41
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 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
SCHEMBL168029 1.00 SLC7A5 (0.57) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL3476198 0.98 SLC7A5 (0.56) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL168028 0.89 SLC7A5 (0.59) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL25234890 0.86 SLC7A5 (0.56) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL7155008 0.85 ALPI (0.58) SLC7A5HDAC8
SCHEMBL28872276 0.85 ALPI (0.58) SLC7A5HDAC8
SCHEMBL29969329 0.83 SLC7A5 (0.53) SLC7A5TAAR1HDAC8SLC6A2ESR1
Tyrosine Methyl Ester SCHEMBL28726421 0.83 ESR1 (0.56) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL27680265 0.81 SLC7A5 (0.67) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL4453960 0.81 SLC7A5 (0.67) SLC7A5TAAR1HDAC8SLC6A2ESR1

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-2005074967-A2 PROGASTRIN DERIVED PEPTIDES RIGSHOSPITALET (DK) 2005-08-18 WO disclosed
EP-1144754-A1 CRYSTALLINE MODIFICATION OF A WATER-INSOLUBLE MONOAZO DYE DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-10-17 EP disclosed
US-6225100-B1 ENZYME FROM CLOSTRIDIUM WITH STORAGE AND REACTION STABILITY; FOR EFFICIENT SULFATION OF TYROSYLPEPTIDES SUCH AS CHOLECYSTOKININ DCV, INC. 2001-05-01 US disclosed
WO-2000040795-A1 CRYSTALLINE MODIFICATION OF A WATER-INSOLUBLE MONOAZO DYE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-07-13 WO disclosed
WO-1998003636-A9 NOVEL ARYLSULFOTRANSFERASE 1998-05-22 WO disclosed
WO-1998003636-A1 NOVEL ARYLSULFOTRANSFERASE BIO-TECHNICAL RESOURCES (US) 1998-01-29 WO disclosed