SCHEMBL1470772

SCHEMBL1470772

CO[Si](CCCOc1c2cc(CCC[Si](OC)(OC)OC)cc1Cc1cc(CCC[Si](OC)(OC)OC)cc(c1OCCC[Si](OC)(OC)OC)Cc1cc(CCC[Si](OC)(OC)OC)cc(c1OCCC[Si](OC)(OC)OC)Cc1cc(CCC[Si](OC)(OC)OC)cc(c1OCCC[Si](OC)(OC)OC)C2)(OC)OC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.36
CD14 P08571 6/20 0.36
LY96 Q9Y6Y9 6/20 0.36
TNKS2 Q9H2K2 1/20 0.31
HTR2A P28223 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
SCHEMBL1639310 0.69 CALM1 (0.45)
SCHEMBL15733506 0.69 IDO1 (0.36) TNKS2
SCHEMBL13686090 0.69 TLR4 (0.38) TLR4CD14LY96HTR2A
SCHEMBL15734344 0.68 NOS1 (0.33) TNKS2HTR2A
SCHEMBL3873166 0.68 TLR4 (0.40) TLR4CD14LY96TNKS2
SCHEMBL3908852 0.67 HRH1 (0.47)
SCHEMBL15209652 0.67 CHRM2 (0.45)
SCHEMBL15734988 0.67 SMN1; SMN2 (0.35)
SCHEMBL17077608 0.66 CALM1 (0.42)
SCHEMBL15733976 0.66 IDO1 (0.42)

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-7915438-B1 Solid phase host compositions NORTHWESTERN UNIVERSITY (US) 2011-03-29 US disclosed
US-7271259-B1 Solid phase host compositions NORTHWESTERN UNIVERSITY (US) 2007-09-18 US disclosed