SCHEMBL9813995

SCHEMBL9813995

O=C(O)c1c(O)cc(O)c2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
CA7 P43166 4/20 0.45
CA14 Q9ULX7 4/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.42
CLK1 P49759 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1B1 P15121 1/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL3422904 0.79 THRB (0.57) CA12CA1CA2CA9CA7
SCHEMBL3388724 0.76 CA12 (0.50) CA12CA1CA2CA9CA7
SCHEMBL18952895 0.74 CA12 (0.44) CA12CA1CA2CA9CA7
SCHEMBL30178354 0.74 CA12 (0.48) CA12CA1CA2CA9CA7
SCHEMBL732139 0.74 CA12 (0.48) CA12CA1CA2CA9CA7
SCHEMBL24116588 0.73 CA12 (0.42) CA12CA1CA2CA9CA7
SCHEMBL31021580 0.73 CA12 (0.42) CA12CA1CA2CA9CA7
SCHEMBL24116597 0.73 SMAD3 (0.43) CA12CA1CA2CA9CA7
SCHEMBL3388489 0.72 ALDH1A1 (0.61) CA12CA1CA2CA9CA7
SCHEMBL3205289 0.72 KDM4E (0.41) ALDH1A1KDM4EKMT2ACES2TYR

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
EP-0109630-B1 PROCESS FOR THE MANUFACTURE OF PRINTING PLATES HOECHST CELANESE CORPORATION (US) 1991-08-14 EP disclosed
EP-0109630-A2 Process for the manufacture of printing plates HOECHST CELANESE CORPORATION (US) 1984-05-30 EP disclosed