SCHEMBL5079828

SCHEMBL5079828

O=S(=O)(O)c1cccc(CCCO)c1CCCO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
TTR P02766 2/20 0.36
MYC P01106 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MGLL Q99685 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
TBXA2R P21731 1/20 0.31
CYP1A2 P05177 1/20 0.31
MCL1 Q07820 1/20 0.31
FABP4 P15090 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL5075686 0.86 TTR (0.38) CA2TTRMYCAURKAAURKB
SCHEMBL441885 0.85 BID (0.39) TTRMYCMCL1
Ethylene Glycol SCHEMBL28345019 0.85 BID (0.43) KDM4EMCL1
SCHEMBL1803090 0.84 MYC (0.41) CA2TTRMYCPOLBMGLL
Ammonia Solution, Strong SCHEMBL7031258 0.83 BID (0.38) TTRMYCMCL1
SCHEMBL19137800 0.83 BID (0.44) KDM4EMCL1
Ammonia Solution, Strong SCHEMBL23749094 0.82 BID (0.43) KDM4EMCL1
SCHEMBL5175872 0.82 BID (0.47) KDM4EMCL1
SCHEMBL10824047 0.82 BID (0.47) KDM4EMCL1
SCHEMBL19137863 0.82 BID (0.47) KDM4EMCL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408000-B2 Dispersant or coatability improver SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-05 US disclosed
US-7112625-B2 Thermocrosslinkable resin dispersion SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-26 US disclosed
US-20050250907-A1 Dispersant or coatability improver SANYO CHEMICAL INDUSTRIES LTD., (JP) 2005-11-10 US disclosed
EP-1579907-A2 Dispersant or coatability improver SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-28 EP disclosed
US-20050203242-A1 good film-forming properties even at low temperatures; excellent in gasohol resistance (gasoline resistance and alcohol resistance) and water resistance SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-15 US disclosed
EP-1500681-A1 THERMOCROSSLINKABLE RESIN DISPERSION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-26 EP disclosed