SCHEMBL13620743

SCHEMBL13620743

CC(=O)Oc1cc2c(cc1Cl)C1(OC(=O)c3cc(N)ccc31)c1cc(Cl)c(OC(C)=O)cc1O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.57
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
GSTP1 P09211 1/20 0.53
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMAD3 P84022 1/20 0.40
PRMT1 Q99873 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35

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
SCHEMBL1024927 0.87 MAPT (0.66) FTOMAPTMEN1KMT2ALMNA
SCHEMBL29349570 0.87 MAPT (0.66) FTOMAPTMEN1KMT2ALMNA
SCHEMBL29382186 0.86 ALDH1A1 (0.52) FTOMAPTMEN1KMT2ALMNA
SCHEMBL20420116 0.86 ALDH1A1 (0.52) FTOMAPTMEN1KMT2ALMNA
SCHEMBL13620673 0.83 FTO (0.54) FTOMAPTMEN1KMT2ALMNA
SCHEMBL12639984 0.82 MEN1 (0.77) FTOMAPTMEN1KMT2ALMNA
SCHEMBL29403728 0.82 MEN1 (0.77) FTOMAPTMEN1KMT2ALMNA
SCHEMBL9538912 0.81 FTO (0.69) FTOMAPTMEN1KMT2ALMNA
SCHEMBL10145450 0.81 MAPT (0.58) FTOMAPTMEN1KMT2ALMNA
SCHEMBL20419954 0.80 ALDH1A1 (0.49) FTOMAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204430-B1 CONJUGATES AND METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE FOR TRANSPORTING MOLECULES VIA BIOLOGICAL MEMBRANES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-04 EP disclosed