SCHEMBL13066070

SCHEMBL13066070

Cc1cc(OCC(=O)O)cc2c(=O)c3ccccc3sc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 2/20 0.59
POLB P06746 2/20 0.59
HCRTR1 O43613 1/20 0.59
PTPN1 P18031 3/20 0.49
PTPN2 P17706 1/20 0.49
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MCL1 Q07820 2/20 0.44
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
PTPRB P23467 2/20 0.43
HPGD P15428 2/20 0.43
PTPRC P08575 1/20 0.43
PTPRF P10586 1/20 0.43

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 0.86 PTPN1 (0.50) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL114623 0.85 PTPN1 (0.46) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL24947942 0.81 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL8078630 0.81 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL1042257 0.81 MAPT (0.63) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL13066288 0.81 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL112717 0.81 KDM4E (0.61) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL30267109 0.81 KDM4E (0.61) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL29689340 0.81 KDM4E (0.61) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL12904681 0.81 CSF1R (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB

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