SCHEMBL8588545

SCHEMBL8588545

O=C(O)C(Cc1ccc(O)cc1)N(I)P(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.49
POLB P06746 1/20 0.42
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
CA2 P00918 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
FOLH1 Q04609 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
SLC6A2 P23975 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL169321 0.83 SLC7A5 (0.55) SLC7A5POLBESR1ESR2CA2
SCHEMBL169322 0.83 SLC7A5 (0.55) SLC7A5POLBESR1ESR2CA2
Methane SCHEMBL17267562 0.81 SLC7A5 (0.53) SLC7A5POLBESR1ESR2CA2
SCHEMBL23610314 0.80 SLC7A5 (0.51) SLC7A5POLBESR1ESR2CA2
SCHEMBL22615037 0.80 SLC7A5 (0.51) SLC7A5POLBESR1ESR2CA2
SCHEMBL11053244 0.80 SLC7A5 (0.51) SLC7A5POLBESR1ESR2CA2
SCHEMBL11053246 0.80 SLC7A5 (0.51) SLC7A5POLBESR1ESR2CA2
SCHEMBL6518423 0.78 SLC7A5 (0.50) SLC7A5POLBESR1ESR2CA2
SCHEMBL2542276 0.78 SLC7A5 (0.56) SLC7A5POLBESR1ESR2CA2
SCHEMBL2986794 0.78 SLC7A5 (0.56) SLC7A5POLBESR1ESR2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017018641-A1 INSULIN RECEPTOR APTAMER AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 포스코 2017-02-02 WO disclosed
WO-1998018939-A1 NOVEL SALICYLIC ACID INDUCED MAP KINASE AND ITS USE FOR ENHANCED DISEASE RESISTANCE IN PLANTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-05-07 WO disclosed
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO disclosed