SCHEMBL8389487

SCHEMBL8389487

CC(C)(C)c1cc(CC[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CC[Si](C)(C)C)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CC[Si](C)(C)c2ccccc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CC[Si](c2ccccc2)(C(C)(C)C)C(C)(C)C)cc(C(C)(C)C)c1O.CCCCc1cc(CC[Si](C)(C)c2ccccc2)cc(CCCC)c1O.Cc1cc(CC[Si](C)(C)C)cc(C)c1O.Cc1cc(CC[Si](C)(C)c2ccccc2)cc(C)c1O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 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
SCHEMBL9007329 0.91 GAA (0.34) GAAKMT2A
SCHEMBL5692247 0.76 TYR (0.37) GAA
SCHEMBL9007404 0.75 TRPA1 (0.32) GAAKMT2A
SCHEMBL5692156 0.75 GAA (0.47) GAAKMT2A
SCHEMBL8389486 0.74
SCHEMBL6680818 0.74 PTGS1 (0.44) GAAKMT2A
SCHEMBL5692085 0.74 GAA (0.48) GAAKMT2A
SCHEMBL8385660 0.73 ALOX5 (0.37)
SCHEMBL8375521 0.72
SCHEMBL8375517 0.71 GAA (0.33) GAA

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
EP-0910384-A1 METHOD OF INHIBITING VASCULAR CELL ADHESION MOLECULE-1 AND TREATING CHRONIC INFLAMMATORY DISEASES WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS HOECHST MARION ROUSSEL, INC. (US) 1999-04-28 EP disclosed
WO-1997040837-A1 METHOD OF INHIBITING VASCULAR CELL ADHESION MOLECULE-1 AND TREATING CHRONIC INFLAMMATORY DISEASES WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS HOECHST MARION ROUSSEL, INC. (US) 1997-11-06 WO disclosed