SCHEMBL13066288

SCHEMBL13066288

COc1cc(OCC(=O)O)c2sc3ccccc3c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PTPN1 P18031 8/20 0.50
PTPN2 P17706 1/20 0.50
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
HCRTR1 O43613 1/20 0.44
HPGD P15428 2/20 0.44
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
PTPN6 P29350 1/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL28997534 0.92 PTPN1 (0.50) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL12904681 0.86 CSF1R (0.52) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL8411604 0.81 PTPN1 (0.54) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL13066404 0.81 PTPN1 (0.52) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL13066070 0.81 ALDH1A1 (0.59) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL6483685 0.79 HPGD (0.51) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL114623 0.78 PTPN1 (0.46) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL29771150 0.78 MAPT (0.49) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL131320 0.78 MAPT (0.49) ALDH1A1MAPTTDP1KDM4EL3MBTL1
SCHEMBL10001872 0.77 MAPT (0.62) ALDH1A1MAPTTDP1KDM4EL3MBTL1

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-2246330-A1 New photoinitiators Siegwerk Benelux SA (BE) 2010-11-03 EP disclosed