SCHEMBL31369142

SCHEMBL31369142

COc1cc2c(cc1OC)C(=O)c1cc(OC)c(OC)cc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
USP8 P40818 1/20 0.50
USP7 Q93009 1/20 0.50
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
LCK P06239 2/20 0.47
ACHE P22303 1/20 0.47
TNFSF11 O14788 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL18048115 1.00 CA1 (0.56) CA1CA2CA7CA9CYP3A4
SCHEMBL3899483 0.97 CA1 (0.54) CA1CA2CA7CA9CYP3A4
SCHEMBL28575367 0.92 CA1 (0.54) CA1CA2CA7CA9CYP3A4
SCHEMBL6760398 0.88 MAPT (0.63) CYP3A4ALDH1A1CYP1A2KDM4EMEN1
SCHEMBL5810336 0.85 CA1 (0.54) CA1CA2CA7CA9CYP3A4
SCHEMBL7984104 0.84 PTPRC (0.61) CYP3A4ALDH1A1CYP1A2USP8USP7
SCHEMBL9238314 0.84 NQO1 (0.52) CA1CA2CA7CA9CYP3A4
SCHEMBL19437875 0.83 ACHE (0.53) CA1CA2CA7CA9CYP3A4
SCHEMBL19651865 0.82 NQO1 (0.50) CYP3A4ALDH1A1CYP1A2USP8USP7
SCHEMBL31369146 0.81 CYP3A4 (0.62) CA1CA2CA7CA9CYP3A4

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-2025059098-A2 PHOTOCATALYTIC CARBOXYLATION OF SUBSTRATES WITH CARBON OXIDE NEW IRIDIUM INC. (US) 2025-03-20 WO disclosed