SCHEMBL29547299

SCHEMBL29547299

CCCC[Si](C)(C)OCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GRM5 P41594 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL17905717 0.84 CHRNB2 (0.68) CHRNB2CHRNA4TLR4TLR2HPGD
SCHEMBL7643659 0.83 CHRNB2 (0.60) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL8461839 0.83 CHRNB2 (0.67) CHRNB2CHRNA4TLR4TLR2HPGD
SCHEMBL9795553 0.82 CHRNB2 (0.65) CHRNB2CHRNA4TLR4TLR2HPGD
SCHEMBL9172223 0.82 CHRNB2 (0.65) CHRNB2CHRNA4TLR4TLR2HPGD
SCHEMBL5973196 0.82 CHRNB2 (0.65) CHRNB2CHRNA4TLR4TLR2HPGD
SCHEMBL2374109 0.80 CHRNB2 (0.70) CHRNB2CHRNA4TLR4TLR2HPGD
SCHEMBL15498199 0.80 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL8472550 0.79 CHRNB2 (0.58) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL7042749 0.77 CHRNB2 (0.67) CHRNB2CHRNA4TLR4TLR2HPGD

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-2022086892-A1 INTERLEUKIN 4 (IL4)-INDUCED GENE 1 INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2022-04-28 WO disclosed