SCHEMBL10537166

SCHEMBL10537166

O=CN[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
MME P08473 5/20 0.46
ACE P12821 5/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SLC7A5 Q01650 1/20 0.44
PPARG P37231 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PPARA Q07869 2/20 0.41
PCNA P12004 1/20 0.41

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
SCHEMBL2703294 0.91 FOLH1 (0.54) FOLH1NAALAD2MMEACECPA1
SCHEMBL3799467 0.91 FOLH1 (0.54) FOLH1NAALAD2MMEACECPA1
SCHEMBL4611286 0.91 FOLH1 (0.54) FOLH1NAALAD2MMEACECPA1
SCHEMBL10494110 0.90 FOLH1 (0.52) FOLH1NAALAD2MMEACECPA1
SCHEMBL10494109 0.90 FOLH1 (0.52) FOLH1NAALAD2MMEACECPA1
Trifluoroacetic Acid SCHEMBL29695528 0.84 ACE (0.53) FOLH1NAALAD2MMEACECPA1
SCHEMBL28732225 0.84 FOLH1 (0.50) FOLH1NAALAD2MMEACECPA1
SCHEMBL188398 0.82 FOLH1 (0.49) FOLH1NAALAD2MMEACECPA1
SCHEMBL21598075 0.82 FOLH1 (0.52) FOLH1NAALAD2MMEACECPA1
SCHEMBL21598076 0.82 FOLH1 (0.52) FOLH1NAALAD2MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820860-A Novel thyronine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed