SCHEMBL5026307

SCHEMBL5026307

CC(C)[C@@H](I)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
RIPK1 Q13546 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16147772 1.00 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL9232886 0.85 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SLC6A4SLC6A3
SCHEMBL15219237 0.85 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SLC6A4SLC6A3
SCHEMBL19513655 0.81 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL705925 0.81 RIPK1 (0.34) CYP3A4HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL8132885 0.79 SLC6A2 (0.34) CYP3A4HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL30335514 0.79 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3RIPK1ATM
SCHEMBL7354376 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL17491817 0.78 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL28549734 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SLC6A4SLC6A3

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-1939191-A1 Furan derivatives, method of synthesis and uses thereof Neuropharma S.A. (ES) 2008-07-02 EP disclosed