SCHEMBL5000454

SCHEMBL5000454

CC(=CCCCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.41
TBXAS1 P24557 6/20 0.40
MAPT P10636 2/20 0.39
PPARD Q03181 1/20 0.39
AKR1C3 P42330 1/20 0.38
CYP2C9 P11712 1/20 0.34
PPARG P37231 1/20 0.33
APEX1 P27695 3/20 0.33
BACE1 P56817 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
NR4A2 P43354 1/20 0.31
RXRG P48443 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
SCHEMBL8063878 0.91 MAPT (0.41) DUTTBXAS1MAPTPPARDAKR1C3
SCHEMBL819986 0.78 L3MBTL1 (0.53) MAPTL3MBTL1
SCHEMBL7194972 0.76 DUT (0.46) DUTMAPTL3MBTL1
SCHEMBL1217779 0.76 TBXAS1 (0.35) TBXAS1PPARDPPARG
SCHEMBL7195124 0.75 DUT (0.44) DUTTBXAS1MAPT
SCHEMBL1122003 0.75 ALDH1A1 (0.45) PPARDCYP2C9L3MBTL1
SCHEMBL1122000 0.75 ALDH1A1 (0.45) PPARDCYP2C9L3MBTL1
SCHEMBL27756438 0.75 TDP1 (0.62) CYP2C9L3MBTL1
SCHEMBL4828682 0.74 KCNA3 (0.52) L3MBTL1
SCHEMBL7191495 0.74 DUT (0.43) DUTMAPTL3MBTL1

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-7417090-B2 Water-dispersible polyisocyanate composition, production thereof, and water-based curable composition and application thereof DAINIPPON INK & CHEMICALS, INC. (JP) 2008-08-26 US disclosed
US-20070049691-A1 Water-dispersible polyisocyanate composition, production thereof, and water-based curable composition and application thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-03-01 US disclosed