SCHEMBL28091682

SCHEMBL28091682

O=C(O)C(CO)NCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.48
CD274 Q9NZQ7 7/20 0.48
SLC7A5 Q01650 1/20 0.44
FOLH1 Q04609 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
CA2 P00918 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MME P08473 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
SCHEMBL28091681 1.00 PDCD1 (0.48) PDCD1CD274SLC7A5FOLH1NAALAD2
SCHEMBL148423 0.86 FOLH1 (0.55) SLC7A5FOLH1NAALAD2CA2MEN1
SCHEMBL8414223 0.86 FOLH1 (0.55) SLC7A5FOLH1NAALAD2CA2MEN1
SCHEMBL310937 0.85 PDCD1 (0.53) PDCD1CD274MME
SCHEMBL1190016 0.85 PDCD1 (0.53) PDCD1CD274MME
SCHEMBL1190014 0.85 PDCD1 (0.53) PDCD1CD274MME
SCHEMBL28805317 0.84 ALDH1A1 (0.51) PDCD1CD274FOLH1MEN1KMT2A
SCHEMBL20336758 0.84 ACE (0.49) SLC7A5FOLH1NAALAD2CA2CAMK2A
Hydrochloric Acid SCHEMBL1008301 0.84 PDCD1 (0.52) PDCD1CD274MME
Hydrochloric Acid SCHEMBL28545141 0.84 PDCD1 (0.52) PDCD1CD274MME

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
CN-104829635-B Metal copper complexes of serine N derivant and its preparation method and application 山西大学 2016-09-28 CN claimed