SCHEMBL9328639

SCHEMBL9328639

O=C(O)c1c(Cc2ccc(O)c(O)c2C(=O)O)ccc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PTPN11 Q06124 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KLKB1 P03952 1/20 0.39
CTSB P07858 1/20 0.39
MMP9 P14780 1/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3B Q9UBC3 1/20 0.39
DNMT3L Q9UJW3 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
PRKCI P41743 1/20 0.39

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
SCHEMBL5676741 0.85 PRKCI (0.46) SELLSELPCA12CA1CA2
SCHEMBL19031821 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5589276 0.83 MCL1 (0.44) SELLSELPCA12CA1CA2
SCHEMBL5587907 0.83 SELL (0.42) SELLSELPCA12CA1CA2
SCHEMBL7824485 0.83 DUSP3 (0.61) SELLSELPCA12CA1CA2
SCHEMBL5588763 0.83 SELL (0.42) SELLSELPCA12CA1CA2
SCHEMBL5588141 0.83 SELL (0.42) SELLSELPCA12CA1CA2
SCHEMBL5523149 0.82 LDHA (0.40) CA12CA1CA2CA7CA9
SCHEMBL5527281 0.81 HMGB1 (0.50) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5589102 0.80 SELL (0.39) SELLSELPCA12CA1CA2

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
US-5302458-A Inorganic substrates coated with mixture of azidosilane and aminoalkoxysilane BASF LACKE+FARBEN AKTIENGESELLSCHAFT (DE) 1994-04-12 US disclosed
US-5286527-A Azidosilanes BASF LACKE+FARBEN AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed