SCHEMBL28440522

SCHEMBL28440522

O=C(OC(=O)c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CA1 P00915 1/20 0.61
CA6 P23280 1/20 0.61
PARP1 P09874 1/20 0.59
KDM4E B2RXH2 3/20 0.55
EGLN2 Q96KS0 1/20 0.55
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SLC2A1 P11166 1/20 0.53
SLC2A4 P14672 1/20 0.53
FASN P49327 1/20 0.52
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
P4HB P07237 1/20 0.49

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
SCHEMBL6661362 0.84 PARP1 (0.63) CA12CA2CA9CA1CA6
SCHEMBL23375527 0.83 CA12 (0.57) CA12CA2CA9CA1CA6
Methyl 3-Hydroxybenzoate SCHEMBL29410714 0.83 P4HB (0.67) CA12CA2CA9CA1CA6
Methyl 3-Hydroxybenzoate SCHEMBL67203 0.83 P4HB (0.67) CA12CA2CA9CA1CA6
SCHEMBL16428931 0.83 CA12 (0.57) CA12CA2CA9CA1CA6
SCHEMBL27535660 0.83 PARP1 (0.61) CA12CA2CA9CA1CA6
SCHEMBL28010305 0.83 CA12 (0.57) CA12CA2CA9CA1CA6
SCHEMBL11269837 0.82 CA12 (0.47) CA12CA2CA9CA1CA6
Resorcinol SCHEMBL28211087 0.82 CA12 (0.61) CA12CA2CA9CA1CA6
SCHEMBL21681878 0.81 ESR1 (0.65) CA12CA2CA9CA1CA6

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-108864409-B Weather-resistant epoxy resin material and preparation method thereof 安徽善孚新材料科技股份有限公司 2020-08-18 CN disclosed