SCHEMBL3742831

SCHEMBL3742831

COC(CC(=O)O)C(=O)O.OCCCCOCCCCOCCCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL3731450 1.00 GAA (0.39) GAACYP4F2CYP4A11GPR84FFAR1
1,4-Butanediol SCHEMBL3742951 0.93 GPR84 (0.38) GPR84FFAR1FFAR4PPARGPPARD
Di(Hydroxyethyl)Ether SCHEMBL3731296 0.89 TSHR (0.39) ALDH1A1MEN1THRBHTTKMT2A
Triethylene Glycol SCHEMBL3732447 0.87 MEN1 (0.41) ALDH1A1MEN1THRBHTTKMT2A
Tetraethylene Glycol SCHEMBL3742721 0.87 MEN1 (0.41) ALDH1A1MEN1THRBHTTKMT2A
Ethylene Glycol SCHEMBL3731034 0.85 TDP1 (0.39) MAPTPPARGPPARDPPARATDP1
SCHEMBL2580759 0.82 TDP1 (0.43) MAPTPPARGPPARDPPARATDP1
SCHEMBL10212 0.82 TDP1 (0.43) MAPTPPARGPPARDPPARATDP1
SCHEMBL2593546 0.82 TDP1 (0.43) MAPTPPARGPPARDPPARATDP1
SCHEMBL11672388 0.80 TDP1 (0.42) MAPTPPARGPPARDPPARATDP1

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