SCHEMBL27645320

SCHEMBL27645320

Cc1cc(O)cc(C)c1Cc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.67
CTSB P07858 1/20 0.67
MMP9 P14780 1/20 0.67
DNMT1 P26358 1/20 0.67
DNMT3B Q9UBC3 1/20 0.67
DNMT3L Q9UJW3 1/20 0.67
DNMT3A Q9Y6K1 1/20 0.67
HNF4A P41235 1/20 0.59
LCK P06239 2/20 0.53
KAT8 Q9H7Z6 2/20 0.50
EGFR P00533 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 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
SCHEMBL7775844 0.88 KLKB1 (0.68) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9496912 0.87 KLKB1 (0.66) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL23265352 0.82 KLKB1 (0.79) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL27733443 0.81 ALOX5 (0.54) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL160646 0.81 KLKB1 (1.00) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL29414416 0.81 KLKB1 (1.00) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL27666556 0.80 HSD17B1 (0.43) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL285291 0.79 THRB (0.76) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9651461 0.79 KLKB1 (0.79) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9250700 0.78 KLKB1 (0.85) KLKB1CTSBMMP9DNMT1DNMT3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189248-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-28 CN disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed