SCHEMBL15375412

SCHEMBL15375412

C=CCN(C(=O)OCc1ccccc1)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
TGM2 P21980 1/20 0.37
BTK Q06187 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ABCB1 P08183 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL4651960 0.84 ALDH1A1 (0.49) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL3081849 0.82 HCAR2 (0.47) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL24729148 0.78 ALDH1A1 (0.44) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL29009658 0.77 L3MBTL1 (0.38) ALDH1A1L3MBTL1KMT2AMAPTHPGD
SCHEMBL541750 0.77 HCAR2 (0.51) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL17420660 0.76 ALDH1A1 (0.49) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL8651697 0.76 HCAR2 (0.50) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL28360698 0.76 TSHR (0.40) ALDH1A1L3MBTL1KMT2ALMNATSHR
SCHEMBL8593724 0.75 HCAR2 (0.41) HCAR2ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL29837176 0.75 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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
WO-2013167585-A2 RECYCLING OF ORGANOTIN COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2013-11-14 WO disclosed
EP-2662379-A1 Recycling of organotin compounds Universiteit Antwerpen (BE) 2013-11-13 EP disclosed