SCHEMBL4676472

SCHEMBL4676472

CC(C)COC(=O)C(C)[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX4 Q99571 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34
APEX1 P27695 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL4413628 0.81 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4254691 0.81 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL30145011 0.80 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL2275427 0.80 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL41548 0.80 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL7218084 0.79 TSHR (0.46) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL5481281 0.78 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL11524614 0.78 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL767015 0.78 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6215006 0.78 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed