SCHEMBL24375930

SCHEMBL24375930

COCCC(=O)c1cc(OC)c(O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PTGS2 P35354 2/20 0.49
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45

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
SCHEMBL670168 0.84 PKM (0.58) PKMCA12CA1CA2CA3
SCHEMBL624796 0.84 PKM (0.58) PKMCA12CA1CA2CA3
SCHEMBL24375732 0.81 SLC22A6 (0.62) KMT2AGAAKDM4ECTNNB1WNT3A
SCHEMBL6129149 0.81 CTNNB1 (0.69) CA12CA1CA2CA4CA6
SCHEMBL19568896 0.79 CA12 (0.50) CA12CA1CA2CA5ACA7
SCHEMBL1260982 0.79 PKM (0.62) PKMCA12CA1CA2CA3
SCHEMBL9702085 0.79 PKM (0.62) PKMCA12CA1CA2CA3
SCHEMBL11162662 0.78 PKM (0.60) PKMCA12CA1CA2CA3
SCHEMBL11162299 0.78 PKM (0.60) PKMCA12CA1CA2CA3
SCHEMBL29069339 0.78 PKM (0.60) PKMCA12CA1CA2CA3

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
US-20220127217-A1 METHODS OF DEPOLYMERIZING LIGNIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-04-28 US disclosed