SCHEMBL5099337

SCHEMBL5099337

CC(C)(C)[Si](OCCCc1cc(CO)no1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PPARA Q07869 1/20 0.36
SMYD2 Q9NRG4 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 6/20 0.32
DRD4 P21917 6/20 0.32
DRD3 P35462 6/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL5091044 0.88 SMYD2 (0.35) PPARASMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL5088896 0.87 SMYD2 (0.35) PPARASMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL8874507 0.86 CYP3A4 (0.36) PPARASMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL22288350 0.85 MEN1 (0.43) SMYD2SMN1; SMN2CYP3A4HTTDRD2
SCHEMBL8875701 0.84 SMYD2 (0.33) PPARASMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL8876274 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9A
SCHEMBL16436934 0.79 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL14183590 0.79 SMYD2 (0.35) NOTUMSMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL5028036 0.76 SMYD2 (0.38) SMYD2SMN1; SMN2CYP3A4HTTKMT2A
SCHEMBL440160 0.75 SMYD2 (0.38) PPARASMYD2SMN1; SMN2CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371755-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2008-05-13 US disclosed
EP-1214317-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2002-06-19 EP disclosed
WO-2001019822-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2001-03-22 WO disclosed
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed