SCHEMBL6026564

SCHEMBL6026564

COc1cc2c(c(Cl)c1O)Oc1c(ccc(O)c1Cl)C21OC(=O)c2cc(C(=O)O)cc(OC)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.41
PTGS2 P35354 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 4/20 0.34
THRB P10828 3/20 0.34
RECQL P46063 3/20 0.34

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
SCHEMBL17713858 0.87 SMAD3 (0.46) SMAD3GNG2GNB1TDP1THRB
SCHEMBL1682554 0.84 SMAD3 (0.40) SMAD3CA12CA1CA2CA3
SCHEMBL345532 0.84 GNG2 (0.40) SMAD3PTGS2CA12CA1CA2
SCHEMBL29831001 0.84 GNG2 (0.40) SMAD3PTGS2CA12CA1CA2
SCHEMBL3717351 0.82 SMAD3 (0.45) SMAD3PKMGNG2GNB1TDP1
SCHEMBL6037101 0.80 SMAD3 (0.32) SMAD3GNG2GNB1
SCHEMBL29838713 0.80 MEN1 (0.39) PTGS2CA12CA1CA2CA3
SCHEMBL29353753 0.80 MEN1 (0.39) PTGS2CA12CA1CA2CA3
SCHEMBL16118 0.80 MEN1 (0.39) PTGS2CA12CA1CA2CA3
SCHEMBL701249 0.80 SMAD3 (0.44) SMAD3PTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021198303-A1 NEW METHOD OF PROSTATE CANCER DIAGNOSIS NEURO-BIO (FR) 2021-10-07 WO disclosed
EP-1711625-A2 METHODS AND COMPOSITIONS FOR DETECTING NUCLEIC ACIDS USING SCANNING PROBE MICROSCOPY AND NANOCODES Intel Corporation (US) 2006-10-18 EP disclosed
EP-1664335-A1 METHODS TO INCREASE NUCLEOTIDE SIGNALS BY RAMAN SCATTERING INTEL CORPORATION (US) 2006-06-07 EP disclosed
WO-2005090948-A2 COMPOSITE ORGANIC-INORGANIC NANOCLUSTERS INTEL CORPORATION (US) 2005-09-29 WO disclosed
WO-2005066368-A2 METHODS AND COMPOSITIONS FOR DETECTING NUCLEIC ACIDS USING SCANNING PROBE MICROSCOPY AND NANOCODES INTEL CORPORATION (US) 2005-07-21 WO disclosed
WO-2005035791-A1 METHODS TO INCREASE NUCLEOTIDE SIGNALS BY RAMAN SCATTERING INTEL CORPORATION (US) 2005-04-21 WO disclosed