SCHEMBL7501347

SCHEMBL7501347

CCCC(N)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.35
▸ HTT P42858 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ CTSG P08311 1/20 0.31
▸ CTRB1 P17538 1/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL8034274 0.87 HTT (0.33) AOC3HTTCYP3A4SMN1; SMN2SLC6A2
SCHEMBL10098880 0.82 RIPK1 (0.36) AOC3HTTCYP3A4SMN1; SMN2SLC6A3
SCHEMBL30014105 0.81 AOC3 (0.38) AOC3HTTCYP3A4SMN1; SMN2SLC6A2
SCHEMBL20212163 0.78 SIGMAR1 (0.34) AOC3HTTCYP3A4SMN1; SMN2PRSS1
SCHEMBL20212164 0.78 SIGMAR1 (0.34) AOC3HTTCYP3A4SMN1; SMN2PRSS1
SCHEMBL7503724 0.78 ALDH1A1 (0.38) AOC3HTTCYP3A4SMN1; SMN2SLC6A2
SCHEMBL29083922 0.77 HTT (0.32) AOC3HTTCYP3A4SMN1; SMN2SLC6A2
SCHEMBL21644742 0.77 CYP3A4 (0.37) HTTCYP3A4SMN1; SMN2SIGMAR1
SCHEMBL21644743 0.77 CYP3A4 (0.37) HTTCYP3A4SMN1; SMN2SIGMAR1
SCHEMBL9608883 0.77 TRPA1 (0.34) AOC3HTTCYP3A4SMN1; SMN2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230250-A2 AMINOALKYL GLUCOSAMINIDE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2002-08-14 — — EP disclosed
WO-2001034617-A2 AMINOALKYL GLUCOSAMINIDE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2001-05-17 — — WO disclosed
EP-0983286-A1 AMINOALKYL GLUCOSAMINE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2000-03-08 — — EP disclosed
WO-1998050399-A1 AMINOALKYL GLUCOSAMINE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 1998-11-12 — — WO disclosed
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