SCHEMBL6561393

SCHEMBL6561393

c1ccc(COP(OCCCCOP(OCc2ccccc2)OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
IDO1 P14902 2/20 0.43
AGXT P21549 1/20 0.41
MGLL Q99685 1/20 0.41
KCNA3 P22001 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL9861937 0.89 CETP (0.46) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL11529935 0.89 CETP (0.46) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL11305016 0.89 CETP (0.46) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL11431937 0.89 CETP (0.46) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL194803 0.89 TSHR (0.57) TSHRIDO1AGXTL3MBTL1TDP1
SCHEMBL18544242 0.88 TSHR (0.47) TSHRIDO1L3MBTL1TDP1ALDH1A1
SCHEMBL11687302 0.86 TSHR (0.55) TSHRIDO1AGXTL3MBTL1TDP1
SCHEMBL5074269 0.85 MMP9 (0.40) TSHRIDO1MGLLL3MBTL1TDP1
SCHEMBL28515578 0.85 MMP9 (0.40) TSHRIDO1MGLLL3MBTL1TDP1
Bromide SCHEMBL11675628 0.84 TSHR (0.52) TSHRIDO1AGXTL3MBTL1TDP1

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-20220325036-A1 PROCESS FOR THE PREPARATION OF POLYESTERS WITH RECYCLED MONOMERS FROM PYROLYSIS AND METHANOLYSIS EASTMAN CHEMICAL COMPANY (US) 2022-10-13 US disclosed
EP-1144400-B1 PRODUCTION OF AQUEOUS SOLUTIONS OF MIXTURES OF FORMYLTETRAHYDROFURAN AND HYDRATES THEREOF EASTMAN CHEM CO (US) 2004-03-24 EP disclosed
US-5912364-A Process for the preparation of 3-methyltetrahydrofuran EASTMAN CHEMICAL COMPANY (US) 1999-06-15 US disclosed
EP-0765315-B1 PROCESS FOR THE SELECTIVE HYDROGENATION OF EPOXYALKENES TO EPOXYALKANES EASTMAN CHEM CO (US) 1998-09-30 EP disclosed
US-5498584-A CATALYST EASTMAN CHEMICAL COMPANY (US) 1996-03-12 US disclosed
US-5391773-A Using complex catalyst of rhodium, organophosphorus compound and polyunsaturated hydrocarbons; free of hydrogenolysis of epoxy group EASTMAN CHEMICAL COMPANY (US) 1995-02-21 US disclosed