SCHEMBL6289780

SCHEMBL6289780

CC(C)O[Si](CCCN)(OC(C)C)OC(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.40
KCNH2 Q12809 2/20 0.38
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 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
SCHEMBL6289792 0.76
SCHEMBL28463771 0.73
SCHEMBL6289825 0.73
SCHEMBL134513 0.72
SCHEMBL28519623 0.70 HTR2A (0.37) CYP2D6CYP3A4CYP2C9CYP2C19TAAR1
Benzene SCHEMBL27925659 0.70
Hydrochloric Acid SCHEMBL3256846 0.70
SCHEMBL24433890 0.69 HRH1 (0.36) KIF11KCNH2TAAR1HTR2AHRH1
SCHEMBL15643179 0.69 HRH1 (0.36) KIF11KCNH2TAAR1HTR2AHRH1
SCHEMBL28235871 0.69 MAPK1 (0.37) MAPK1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855792-B2 Cross-linking agents and thermosetting paints DEGUSSA AG (DE) 2005-02-15 US claimed
US-20020103286-A1 Cross-linking agents and thermosetting paints DEGUSSA AG (DE) 2002-08-01 US claimed
EP-1193278-A1 Non aqueous, heat curable, two component coating composition Degussa AG (DE) 2002-04-03 EP claimed
US-6855792-B2 Cross-linking agents and thermosetting paints DEGUSSA AG (DE) 2005-02-15 US disclosed
US-6492482-B2 WEAR AND CHEMICAL RESISTANCE DEGUSS-HUELS AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20020103286-A1 Cross-linking agents and thermosetting paints DEGUSSA AG (DE) 2002-08-01 US disclosed
US-20020042471-A1 Nonaqueous, heat-curable two-component coating DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2002-04-11 US disclosed
EP-1193278-A1 Non aqueous, heat curable, two component coating composition Degussa AG (DE) 2002-04-03 EP disclosed