SCHEMBL438310

SCHEMBL438310

CO[Si](C=CC=Cc1ccccc1)(OC)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
TRPA1 O75762 3/20 0.44
NFE2L2 Q16236 2/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CYP3A4 P08684 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL12445254 0.85 TRPA1 (0.48) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL420280 0.85 TRPA1 (0.48) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL420281 0.85 TRPA1 (0.48) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL28298756 0.83 NFE2L2 (0.47) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL10555539 0.78 MAOB (0.93) MAOBTRPA1NFE2L2MAPK1ALDH1A1
SCHEMBL28108034 0.77 TRPA1 (0.41) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL28085243 0.77 TRPA1 (0.41) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
Styrene SCHEMBL27490904 0.77 ALDH1A1 (0.52) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL28068522 0.77 TRPA1 (0.41) MAOBTRPA1NFE2L2ALDH1A1CYP1A1
SCHEMBL10787687 0.77 MAOB (0.64) MAOBTRPA1NFE2L2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342272-B1 PREPARATION OF NANOSTRUCTURED MICROPOROUS COMPOSITE FOAMS UNIV NEWCASTLE (GB) 2013-09-25 EP disclosed
US-20120064243-A1 PREPARATION OF NANOSTRUCTURED MICROPOROUS COMPOSITE FOAMS NEWCASTLE UNIVERSITY (GB) 2012-03-15 US disclosed
EP-2342272-A2 PREPARATION OF NANOSTRUCTURED MICROPOROUS COMPOSITE FOAMS University Of Newcastle (GB) 2011-07-13 EP disclosed