SCHEMBL13066400

SCHEMBL13066400

CC(C)c1cc(OCC(=O)C2CO2)cc2c(=O)c3ccccc3sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HCRTR1 O43613 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
MAOA P21397 5/20 0.32
MAOB P27338 5/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL114623 0.84 PTPN1 (0.46) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL10001850 0.84 ALDH1A1 (0.41) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL10001851 0.81 ALDH1A1 (0.43) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL10001852 0.79 ALDH1A1 (0.39) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL24949285 0.77 ALDH1A1 (0.40) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL10001849 0.72 ALDH1A1 (0.38) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL30162004 0.71 ALDH1A1 (0.68) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL113420 0.71 ALDH1A1 (0.68) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL10001855 0.70 ALDH1A1 (0.53) ALDH1A1LMNAMAPTL3MBTL1HCRTR1
SCHEMBL13066070 0.70 ALDH1A1 (0.59) ALDH1A1LMNAMAPTL3MBTL1HCRTR1

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