SCHEMBL6553239

SCHEMBL6553239

CC[Si](CC)(CC)CCOCCCCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 6/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL11702185 0.79 TSHR (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7737998 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7214781 0.76 SMN1; SMN2 (0.45) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL148805 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21634 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7986742 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9066848 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL3670805 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10476209 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL152123 0.75 TSHR (0.53) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-0933376-B1 Silanyl-triazines as light screening compositions HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
US-6018044-A TRIS((ALKYL, SILANE, OLIGOSILOXANE OR POLYSILOXANE)(OXY OR AMINO)CARBONYL-(1,4-PHENYLENE)-AMINO)-S-TRIAZINES HAVING AT LEAST ONE SILICON CONTAINING MOIETY OF GIVEN FORMULA; USE AS UV-B FILTERS IN LIGHT SCREENING COMPOSITIONS ROCHE VITAMINS INC. (US) 2000-01-25 US disclosed
EP-0933376-A2 Silanyl-triazines as light screening compositions F. HOFFMANN-LA ROCHE AG (CH) 1999-08-04 EP disclosed