SCHEMBL13620665

SCHEMBL13620665

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.50
GSTP1 P09211 1/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.39
DRD1 P21728 5/20 0.37
PPIA P62937 1/20 0.36
DRD2 P14416 3/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMAD3 P84022 1/20 0.34
PRMT1 Q99873 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL13620673 0.95 FTO (0.54) FTOGSTP1MEN1MAPTHTT
SCHEMBL14265156 0.88 FTO (0.47) FTOGSTP1MEN1MAPTHTT
SCHEMBL13620666 0.80 MEN1 (0.69) FTOGSTP1MEN1MAPTHTT
SCHEMBL13620743 0.79 FTO (0.57) FTOGSTP1MEN1MAPTHTT
SCHEMBL29349570 0.79 MAPT (0.66) FTOGSTP1MEN1MAPTHTT
SCHEMBL1024927 0.79 MAPT (0.66) FTOGSTP1MEN1MAPTHTT
SCHEMBL20420116 0.78 ALDH1A1 (0.52) FTOGSTP1MEN1MAPTHTT
SCHEMBL29382186 0.78 ALDH1A1 (0.52) FTOGSTP1MEN1MAPTHTT
SCHEMBL15274919 0.78 GSTP1 (0.45) FTOGSTP1MEN1MAPTHTT
SCHEMBL9626406 0.75 FTO (0.81) FTOMEN1MAPTHTTKMT2A

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