SCHEMBL3855741

SCHEMBL3855741

CC(=O)ON(C)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ALOX5 P09917 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BRD4 O60885 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAOB P27338 2/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 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
SCHEMBL24632162 0.80 TSHR (0.52) ALDH1A1ALOX5MAPTHPGDMAPK1
SCHEMBL7045980 0.78 ALDH1A1 (0.55) ALDH1A1ALOX5PTGS1PTGS2BRD4
SCHEMBL1674458 0.76 TSHR (0.52) ALDH1A1ALOX5PTGS1PTGS2MAPT
SCHEMBL10627501 0.76 ALDH1A1 (0.52) ALDH1A1ALOX5PTGS1PTGS2MAPT
E1501 SCHEMBL4106825 0.76 ALDH1A1 (0.88) ALDH1A1ALOX5MAPTHPGDMAOB
SCHEMBL432494 0.74 NPC1 (0.52) ALDH1A1ALOX5PTGS1PTGS2HPGD
SCHEMBL27576689 0.74 ALDH1A1 (0.55) ALDH1A1ALOX5PTGS1PTGS2BRD4
SCHEMBL11330873 0.73 ALDH1A1 (0.48) ALDH1A1ALOX5MAPTHPGDMAOB
SCHEMBL6863756 0.73 ALDH1A1 (0.53) ALDH1A1ALOX5PTGS1PTGS2BRD4
SCHEMBL27726414 0.73 ALDH1A1 (0.48) ALDH1A1ALOX5MAPTHPGDMAOB

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
US-7589159-B2 Process for producing radical polymer TECHNO NETWORK SHIKOKU CO., LTD. (JP) 2009-09-15 US disclosed
US-20070032615-A1 Process for producing radical polymer TECHNO NETWORK SHIKOKU CO., LTD. (JP) 2007-02-08 US disclosed