SCHEMBL8772079

SCHEMBL8772079

OCCSc1cccc(-c2ccccc2)c1SCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
CDC25A P30304 3/20 0.44
CDC25B P30305 3/20 0.44
S100A4 P26447 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
CDC25C P30307 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
MAP2K7 O14733 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
TDP2 O95551 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8639269 0.85 HTR7 (0.65) HTR7CDC25ACDC25BS100A4MAPT
SCHEMBL8772078 0.78 S100A4 (0.61) HTR7CDC25ACDC25BS100A4MAPT
SCHEMBL8772059 0.77 DPP4 (0.37) MAPTALDH1A1HPGDMEN1LMNA
SCHEMBL29594315 0.76 S100A4 (0.50) HTR7CDC25ACDC25BS100A4MAPT
SCHEMBL10035839 0.76 S100A4 (0.50) HTR7CDC25ACDC25BS100A4MAPT
SCHEMBL16670248 0.75 POLB (0.52) HTR7S100A4MAPTSMN1; SMN2HSD17B10
SCHEMBL13044882 0.71 HTR7 (0.53) HTR7CDC25ACDC25BS100A4MAPT
SCHEMBL9712004 0.70 ERN1 (0.36) CDC25ACDC25BS100A4MAPTMAPK1
SCHEMBL25413385 0.70 MAPK1 (0.41) CDC25ACDC25BS100A4MAPTMAPK1
SCHEMBL5184972 0.70 ALDH1A1 (0.45) HTR7CDC25ACDC25BS100A4MAPT

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
EP-0799267-A1 NAPHTALENEDICARBOXYLIC ACID POLYMERS CONTAINING ARYL THIOETHERS AND HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1997-10-08 EP disclosed
WO-1996019517-A1 NAPHTALENEDICARBOXYLIC ACID POLYMERS CONTAINING ARYL THIOETHERS AND HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1996-06-27 WO disclosed