SCHEMBL30866186

SCHEMBL30866186

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.49
MME P08473 5/20 0.48
ACE P12821 4/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
SLC7A5 Q01650 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45

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
Methoxymethane SCHEMBL10782363 0.86 FOLH1 (0.54) FOLH1NAALAD2MMEACECPA1
SCHEMBL19511106 0.86 CTSS (0.52) FOLH1NAALAD2MMEACECPA1
SCHEMBL20814074 0.85 FOLH1 (0.50) FOLH1NAALAD2MMEACECPA1
SCHEMBL8393439 0.84 FOLH1 (0.55) FOLH1NAALAD2MMEACECPA1
SCHEMBL7597828 0.84 NAALAD2 (0.57) FOLH1NAALAD2MMEACECPA1
SCHEMBL2214359 0.82 FOLH1 (0.55) FOLH1NAALAD2MMEACECPA1
SCHEMBL10778599 0.82 FOLH1 (0.55) FOLH1NAALAD2MMEACECPA1
SCHEMBL2214358 0.82 FOLH1 (0.55) FOLH1NAALAD2MMEACECPA1
SCHEMBL4653118 0.82 FOLH1 (0.52) FOLH1NAALAD2MMEACECPA1
SCHEMBL4653117 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
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed