SCHEMBL5000451

SCHEMBL5000451

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.43
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TBXAS1 P24557 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
PPARA Q07869 2/20 0.35
TBXA2R P21731 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LTB4R Q15722 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL8063875 0.95 DUT (0.43) DUTHDAC1HDAC2HDAC6HDAC3
SCHEMBL16226556 0.84 HDAC1 (0.35) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16227394 0.82 HDAC1 (0.34) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7195124 0.81 DUT (0.44) DUTHDAC1HDAC2HDAC6HDAC3
SCHEMBL7191495 0.79 DUT (0.43) DUTHDAC1HDAC2HDAC6HDAC3
SCHEMBL7185042 0.78 DUT (0.43) DUTHDAC1HDAC2HDAC6HDAC3
SCHEMBL819985 0.77 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL17555967 0.76 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL17556032 0.76 HDAC1 (0.61) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7190570 0.76 DUT (0.46) DUTHDAC1HDAC2HDAC6HDAC3

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