SCHEMBL28478726

SCHEMBL28478726

O=C(O)c1ccc(C(=O)Nc2cc(C(=O)O)ccc2O)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ KDM5A P29375 1/20 0.57
▸ KCNMA1 Q12791 6/20 0.57
▸ HDAC1 Q13547 5/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ GAA P10253 2/20 0.53
▸ HPSE Q9Y251 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52

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
SCHEMBL28477473 0.98 MEN1 (0.60) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL12704788 0.88 NPC1 (0.77) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL13719992 0.87 MEN1 (0.54) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL28483982 0.87 KCNMA1 (0.51) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL13064965 0.86 TOP1 (0.62) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL13721353 0.86 HPSE (0.57) MEN1KMT2AKDM5AKCNMA1HDAC1
SCHEMBL12704786 0.84 GAA (0.52) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL12707445 0.84 KDM5A (0.53) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL28931514 0.84 MEN1 (0.60) MEN1KMT2ANPC1KDM5AKCNMA1
SCHEMBL12510859 0.83 MEN1 (0.52) MEN1KMT2AKCNMA1HDAC1HDAC2

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-107709289-B Method for producing oxazole dicarboxylic acid compound 味之素株式会社 2020-10-27 — — CN disclosed
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