SCHEMBL8822124

SCHEMBL8822124

CCCC[Si](C)(C)OCc1cn(-c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 7/20 0.36
TLR1 Q15399 7/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 2/20 0.35
ACHE P22303 2/20 0.35
CNR2 P34972 2/20 0.35
S1PR4 O95977 1/20 0.34
CYP19A1 P11511 2/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3752669 0.82 TLR2 (0.39) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL8135570 0.78 TLR2 (0.39) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL3745954 0.77 ALDH1A1 (0.44) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL8158450 0.75 TLR2 (0.34) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL8152746 0.74 ALDH1A1 (0.41) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL8822083 0.74 CYP1A2 (0.36) CYP19A1
SCHEMBL1617550 0.73 ALDH1A1 (0.47) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL4015948 0.72 ALDH1A1 (0.41) TLR2TLR1ALDH1A1LMNAMAPT
SCHEMBL8890531 0.72 AMY1A (0.40) CNR1ACHECNR2S1PR4CYP19A1
SCHEMBL8822076 0.71 ALDH1A1 (0.47) TLR2TLR1ALDH1A1LMNAMAPT

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
WO-1997031917-A9 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS 1997-10-30 WO disclosed