SCHEMBL28217500

SCHEMBL28217500

O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.67
▸ CA1 P00915 7/20 0.67
▸ LNPEP Q9UIQ6 1/20 0.57
▸ CA12 O43570 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ PTPN1 P18031 2/20 0.54
▸ FOLH1 Q04609 1/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ GPR132 Q9UNW8 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ IL2 P60568 1/20 0.52
▸ ACE P12821 1/20 0.51

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
SCHEMBL7516005 1.00 CA2 (0.67) CA2CA1LNPEPCA12CA9
SCHEMBL7517089 0.95 CA2 (0.61) CA2CA1LNPEPCA12CA9
SCHEMBL7712141 0.92 CA2 (0.74) CA2CA1CA12CA9PTPN1
SCHEMBL7557432 0.89 CA1 (0.54) CA2CA1LNPEPCA12CA9
SCHEMBL4054766 0.88 CA2 (0.77) CA2CA1LNPEPCA12CA9
SCHEMBL8671997 0.88 CA2 (0.77) CA2CA1LNPEPCA12CA9
SCHEMBL4054764 0.88 CA2 (0.77) CA2CA1LNPEPCA12CA9
SCHEMBL13091302 0.88 CA2 (0.71) CA2CA1LNPEPCA12CA9
SCHEMBL16144960 0.87 CA2 (0.64) CA2CA1LNPEPCA12CA9
SCHEMBL16144963 0.87 CA2 (0.64) CA2CA1LNPEPCA12CA9

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-106045932-B A kind of compound and its application with radiosensitizing effect 浙江省肿瘤医院 2018-05-15 — — CN disclosed
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