SCHEMBL3742622

SCHEMBL3742622

CC(O)COC(C)CO.CCCCOC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.32
PLA2G4B P0C869 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
PGD P52209 1/20 0.31
USP2 O75604 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 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
SCHEMBL3742354 0.97 TDP1 (0.42) TDP1MAPTHSD17B10PLA2G4B
SCHEMBL3744451 0.92 TDP1 (0.46) TDP1MAPTHSD17B10PGD
Propylene Glycol SCHEMBL3731844 0.88 ATM (0.35) TDP1MAPTPLA2G4BHCAR2ATM
SCHEMBL3729351 0.85 TDP1 (0.38) TDP1PGD
SCHEMBL3734544 0.84 TDP1 (0.37) TDP1MAPTPLA2G4B
SCHEMBL3733786 0.84 TDP1 (0.44) TDP1MAPTHSD17B10PLA2G4BKDM4E
SCHEMBL2979038 0.83 ATM (0.41) PLA2G4BPGDHCAR2ATM
SCHEMBL3734200 0.82 TDP1 (0.38) TDP1MAPTPLA2G4B
Ethylene Glycol SCHEMBL3732641 0.82 ATM (0.37) PLA2G4BPGDHCAR2ATM
SCHEMBL27720867 0.82 ATM (0.39) PLA2G4BPGDHCAR2ATM

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-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed