SCHEMBL1667025

SCHEMBL1667025

CCO[Si](CCCOS(=O)(=O)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
CA1 P00915 12/20 0.34
CA2 P00918 12/20 0.34
CA9 Q16790 9/20 0.33
CA12 O43570 3/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
RECQL P46063 2/20 0.31
GLA P06280 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
SCHEMBL23456673 0.94 CA1 (0.33) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL16804326 0.84 FNTA (0.34) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL27537952 0.84 CA1 (0.32) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL7094220 0.82 KDM4E (0.35) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL5265415 0.80
SCHEMBL27603973 0.78
SCHEMBL333709 0.77 TSHR (0.34) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL3503366 0.75 TSHR (0.33) TSHR
SCHEMBL15794368 0.75 CA2 (0.30) CA2
SCHEMBL1097437 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
EP-1333107-B1 Silane coatings for metals UNIV CINCINNATI (US) 2011-04-20 EP disclosed