SCHEMBL28857372

SCHEMBL28857372

COc1cc(C(=O)O)cc2c(OC)cc(O)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA7 P43166 3/20 0.63
CA9 Q16790 3/20 0.63
CA14 Q9ULX7 3/20 0.63
CA4 P22748 2/20 0.63
CA6 P23280 2/20 0.63
CA3 P07451 1/20 0.63
PKM P14618 1/20 0.63
CA5A P35218 1/20 0.63
CA5B Q9Y2D0 1/20 0.63
PTGS2 P35354 1/20 0.59
TPMT P51580 4/20 0.56
HTT P42858 2/20 0.53
CNR2 P34972 1/20 0.49
HCAR1 Q9BXC0 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 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
SCHEMBL29771941 1.00 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL28857298 0.90 CA1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL1812029 0.79 CA12 (0.55) CA12CA1CA2CA7CA9
Syringic Acid SCHEMBL27602358 0.78 CA12 (1.00) CA12CA1CA2CA7CA9
Syringic Acid SCHEMBL42751 0.78 CA12 (1.00) CA12CA1CA2CA7CA9
3,4,5-Trimethoxybenzoic Acid SCHEMBL6559147 0.78 TPMT (0.71) CA12CA1CA2CA7CA9
SCHEMBL27185256 0.77 CA12 (0.53) CA12CA1CA2CA7CA9
Syringic Acid SCHEMBL30250854 0.76 PKM (0.96) CA12CA1CA2CA7CA9
Syringic Acid SCHEMBL27832093 0.76 PKM (0.96) CA12CA1CA2CA7CA9
SCHEMBL10702559 0.76 HTT (0.56) CA12CA1CA2CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853992-B Soluble low dielectric constant low dielectric loss flame-retardant wholly aromatic copolyester and preparation method and application thereof 四川大学 2024-04-26 CN disclosed
CN-114853992-A Soluble low-dielectric-constant low-dielectric-loss flame-retardant full-aromatic copolyester and preparation method and application thereof 四川大学 2022-08-05 CN disclosed