SCHEMBL21609558

SCHEMBL21609558

CCO[Si](OCC)(OCC)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.32
DUT P33316 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5080634 0.96 TSHR (0.31) LTA4H
SCHEMBL238216 0.82 DUT (0.38) LTA4HDUTTP53KDM4EALDH1A1
SCHEMBL4855961 0.82 NPSR1 (0.32) LTA4HDUTTP53ALDH1A1
SCHEMBL646601 0.82 LTA4H (0.31) LTA4HTP53ALDH1A1
SCHEMBL5078835 0.82 LTA4H (0.31) LTA4HTP53
SCHEMBL703379 0.80 ESR1 (0.37) LTA4HDUTTP53KDM4EALDH1A1
SCHEMBL13621323 0.79 ALDH1A1 (0.33) LTA4HDUTALDH1A1
SCHEMBL8639537 0.77 L3MBTL1 (0.33) LTA4HDUTTP53KDM4EALDH1A1
SCHEMBL645564 0.75 LTA4H (0.38) LTA4HTP53KDM4EALDH1A1HPGD
SCHEMBL19741586 0.74

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-2020003734-A1 METHOD FOR PRODUCING CYCLIC SILOXANE COMPOUND, AND CYCLIC SILOXANE COMPOUND 国立研究開発法人産業技術総合研究所 2020-01-02 WO disclosed