SCHEMBL11118300

SCHEMBL11118300

CCO[Si](CCCC(C)=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
PAOX Q6QHF9 3/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.32
SLC15A2 Q16348 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20390493 0.94 PAOX (0.40) ALDH1A1TDP1PAOXACHELMNA
SCHEMBL4103160 0.92 PAOX (0.43) ALDH1A1TDP1PAOXACHEHSD17B10
SCHEMBL10348950 0.88 ALDH1A1 (0.37) ALDH1A1TDP1LMNASLC15A2
SCHEMBL15397840 0.84 KDM4E (0.41) ALDH1A1TDP1
SCHEMBL698595 0.83 AKR1B1 (0.44) ALDH1A1TDP1LMNAHSD17B10
SCHEMBL7936281 0.83 ALOX15 (0.36)
SCHEMBL14968138 0.82
SCHEMBL15298642 0.81 ALDH1A1 (0.34) ALDH1A1TDP1LMNAHSD17B10
Hydrochloric Acid SCHEMBL28983309 0.81 ALOX15 (0.34)
SCHEMBL615169 0.80 CES1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0101027-A1 Organic compounds bonded to SiO2, process for preparing them and their use Rupprecht, Herbert, Prof. Dr. (DE) 1984-02-22 EP disclosed