SCHEMBL30823688

SCHEMBL30823688

O=C(O)c1c(F)c(O)c(O)c(O)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ ALB P02768 1/20 0.34
▸ GLRA3 O75311 1/20 0.34
▸ GLRB P48167 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ LDHB P07195 1/20 0.31
▸ HCAR1 Q9BXC0 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL28209911 0.88 DPP4 (0.37) DPP4CA12CA1CA2CA7
SCHEMBL8375873 0.83 ESR1 (0.38) DPP4CA12CA1CA2CA7
SCHEMBL721202 0.82 ESR1 (0.41) DPP4CA12CA1CA2CA7
SCHEMBL28475382 0.82 DPP4 (0.37) DPP4CA12CA1CA2CA7
SCHEMBL141037 0.81 CYP1A2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL16673166 0.81 KDM4E (0.42) DPP4CA12CA1CA2CA7
SCHEMBL31021584 0.80 DPP4 (0.36) DPP4CA12CA1CA2CA7
SCHEMBL7579018 0.80 ESR1 (0.39) DPP4CA12CA1CA2CA7
Water SCHEMBL1285779 0.80 ESR1 (0.39) DPP4CA12CA1CA2CA7
SCHEMBL29773954 0.80 ESR1 (0.39) DPP4CA12CA1CA2CA7

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
WO-2024042952-A1 ACID GENERATOR, CURABLE COMPOSITION CONTAINING SAID ACID GENERATOR, AND CURED PRODUCT OF SAME サンアプロ株式会社 2024-02-29 — — WO disclosed
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