SCHEMBL4478640

SCHEMBL4478640

CCOc1cc(C(=O)O)cc2c1C(=O)OC21c2ccc(O)c(Cl)c2Oc2c1ccc(O)c2Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.42
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
TTR P02766 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
GNG2 P59768 1/20 0.35
GNB1 P62873 1/20 0.35
CASP6 P55212 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL701249 0.89 SMAD3 (0.44) SMAD3MEN1KMT2ATTRTDP1
SCHEMBL15019692 0.76 GNG2 (0.50) SMAD3POLBMEN1GAAKMT2A
SCHEMBL29401708 0.76 GNG2 (0.50) SMAD3POLBMEN1GAAKMT2A
SCHEMBL1230563 0.75 SMAD3 (0.44) SMAD3MEN1KMT2ALMNATDP1
SCHEMBL5580100 0.74 SMAD3 (0.39) SMAD3MEN1GAAKMT2ALMNA
SCHEMBL6026564 0.72 SMAD3 (0.41) SMAD3MEN1KMT2ATDP1HTT
SCHEMBL8207884 0.70 SMAD3 (0.48) SMAD3POLBMEN1GAAKMT2A
SCHEMBL1464072 0.68 SMAD3 (0.82) SMAD3MEN1KMT2ATDP1ALOX15
SCHEMBL17001191 0.67 SMAD3 (0.45) SMAD3POLBMEN1GAAKMT2A
SCHEMBL20526344 0.67 SMAD3 (0.41) SMAD3POLBMEN1GAAKMT2A

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-8999634-B2 Nucleic acid detection combining amplification with fragmentation QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2015-04-07 US disclosed
US-20090181378-A1 NUCLEIC ACID DETECTION COMBINING AMPLIFICATION WITH FRAGMENTATION QUEST DIAGNOSTICS INVESTMENTS LLC 2009-07-16 US disclosed