SCHEMBL8745836

SCHEMBL8745836

N[C@@H](Cc1ccc(O)cc1)C(=O)OC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
TYR P14679 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
DPP4 P27487 2/20 0.43
HDAC8 Q9BY41 2/20 0.40
YARS1 P54577 2/20 0.38
ACACB O00763 1/20 0.36

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
SCHEMBL28703154 0.80 TYR (0.58) SLC7A5TYRDPP4HDAC8YARS1
SCHEMBL27859073 0.80 TYR (0.58) SLC7A5TYRDPP4HDAC8YARS1
Hydrochloric Acid SCHEMBL27841331 0.79 TYR (0.57) SLC7A5TYRDPP4HDAC8YARS1
SCHEMBL10934240 0.78 TYR (0.65) SLC7A5TYRDPP4HDAC8YARS1
SCHEMBL20898344 0.77 MEN1 (0.35)
SCHEMBL22075912 0.76 TYR (0.40) SLC7A5TYRDPP4HDAC8
SCHEMBL10575720 0.75 SLC6A3 (0.43)
SCHEMBL10800895 0.74 SLC6A3 (0.42)
SCHEMBL14363511 0.73 KMT2A (0.45) CA12CA1CA2CA9
SCHEMBL23454393 0.72 DPP4 (0.43) SLC7A5TYRDPP4HDAC8YARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440777-B1 BRAIN DERIVED NEUROTROPHIC FACTOR MAX PLANCK GESELLSCHAFT (DE) 1997-02-12 EP disclosed
US-5453361-A Method for producing biologically active human brain derived neurotrophic factor REGENERON PHARMACEUTICALS, INC. (US) 1995-09-26 US disclosed
US-5187162-A Methods of treating neurodegenerative conditions GENSIA PHARMACEUTICALS (US) 1993-02-16 US disclosed
US-5180820-A Nucleic acid sequence code REGENERON PHARMACEUTICALS, INC. 1993-01-19 US disclosed
EP-0440777-A4 BRAIN DERIVED NEUROTROPHIC FACTOR 1992-05-13 EP disclosed
EP-0440777-A1 BRAIN DERIVED NEUROTROPHIC FACTOR. MAX PLANCK GESELLSCHAFT (DE) 1991-08-14 EP disclosed
WO-1991003568-A1 BRAIN DERIVED NEUROTROPHIC FACTOR MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1991-03-21 WO disclosed