SCHEMBL13367156

SCHEMBL13367156

Cc1cccc2sc3cc(OCC(C)C)ccc3c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
TRIM24 O15164 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
IGLV6-57 P01721 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAOA P21397 2/20 0.36
RAD52 P43351 1/20 0.36
CSF1R P07333 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
SCHEMBL13338885 0.87 MAOB (0.39) TRIM24TDP1CDK1MAPKAPK2ALDH1A1
SCHEMBL6864932 0.83 ALDH1A1 (0.54) TRIM24TDP1CDK1MAPKAPK2ALDH1A1
SCHEMBL23954356 0.76 ALDH1A1 (0.65) TRIM24TDP1CDK1MAPKAPK2ALDH1A1
SCHEMBL23226927 0.74 NR1H4 (0.39) TRIM24CSF1R
SCHEMBL4473422 0.73 ALDH1A1 (0.42) TDP1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6875166 0.73 TDP1 (0.47) TDP1ALDH1A1MAPTPOLBMEN1
SCHEMBL425780 0.72 MAPT (0.58) TDP1ALDH1A1MAPTPOLBMEN1
SCHEMBL31379948 0.72 MAPT (0.58) TDP1ALDH1A1MAPTPOLBMEN1
SCHEMBL4473461 0.72 TDP1 (0.56) TDP1ALDH1A1MAPTPOLBMEN1
SCHEMBL10712174 0.71 MPI (0.43) ALDH1A1MAPTPOLBMEN1GAA

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
US-20100129565-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-05-27 US disclosed