SCHEMBL31047737

SCHEMBL31047737

O=C(O)CC[C@H](NC1OCC(O)C1O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.42
▸ NAALAD2 Q9Y3Q0 4/20 0.42
▸ RIMKLA Q8IXN7 1/20 0.42
▸ GGH Q92820 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ SELP P16109 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL29794874 0.78 LMNA (0.43) FOLH1TDP1CA2CA1
SCHEMBL29690577 0.78 FOLH1 (0.41) FOLH1TDP1CA2CA1
SCHEMBL31206883 0.73 PYGB (0.46) FOLH1NAALAD2RIMKLACA2CA1
SCHEMBL28732847 0.72 PYGB (0.48) CA2CA1SELP
SCHEMBL28984898 0.72 FOLH1 (0.41) FOLH1NAALAD2RIMKLAGGHCA2
SCHEMBL10935609 0.70 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHEPHX2
SCHEMBL10935612 0.70 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHEPHX2
SCHEMBL8894663 0.68 FOLH1 (0.47) FOLH1NAALAD2RIMKLAGGH
SCHEMBL8894666 0.68 FOLH1 (0.47) FOLH1NAALAD2RIMKLAGGH
SCHEMBL30058897 0.67 FOLH1 (0.42) FOLH1NAALAD2RIMKLAGGHEPHX2

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-118450907-A Antibody drug conjugates 百济神州有限公司 2024-08-06 — — CN disclosed
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