SCHEMBL3729486

SCHEMBL3729486

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 2/20 0.38
EPHX2 P34913 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CES2 O00748 2/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.34
PLA2G4B P0C869 3/20 0.34
PLA2G2C Q5R387 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL3734030 0.97 TDP1 (0.47) TDP1USP2EPHX2HSD17B10CES2
SCHEMBL3736141 0.91 TDP1 (0.57) TDP1USP2EPHX2HSD17B10MAPT
Acetic Acid SCHEMBL27976204 0.88 TDP1 (0.49) TDP1USP2HSD17B10CES2MAPT
SCHEMBL5388064 0.86 TDP1 (0.56) TDP1USP2HSD17B10MAPTTSHR
Propylene Glycol SCHEMBL3738772 0.86 EPHX2 (0.44) TDP1USP2EPHX2HSD17B10CES2
SCHEMBL3726871 0.84 TDP1 (0.43) TDP1HSD17B10MAPT
SCHEMBL28360575 0.84 TDP1 (0.59) TDP1USP2HSD17B10MAPTTSHR
SCHEMBL3106120 0.84 TDP1 (0.55) TDP1USP2HSD17B10MAPTTSHR
SCHEMBL56119 0.83 TDP1 (0.58) TDP1USP2HSD17B10MAPTTSHR
SCHEMBL4317193 0.83 TDP1 (0.62) TDP1USP2HSD17B10MAPTTSHR

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