SCHEMBL7582783

SCHEMBL7582783

C[SiH2]C1COC(C)(c2ccc(C#N)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.32
ABCB1 P08183 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL6909657 0.79 CYP2A6 (0.43) PGRALDH1A1CYP2A6POLB
SCHEMBL2326687 0.68 KCNH2 (0.42) PGRALDH1A1CYP2A6POLB
SCHEMBL30802 0.66 CYP2A6 (0.40) PGRALDH1A1CYP2A6POLB
Propylene Oxide SCHEMBL28948378 0.64 ALDH1A1 (0.50) ALDH1A1CYP2A6HRH3
SCHEMBL3092427 0.64 POLB (0.42) PGRALDH1A1CYP2A6POLB
SCHEMBL7584757 0.64 ALDH1A1 (0.34) PGRALDH1A1CYP2A6POLBHRH3
SCHEMBL1499439 0.63 CHRNB2 (0.35) ALDH1A1POLB
SCHEMBL18721985 0.63 POLB (0.38) PGRALDH1A1CYP2A6POLB
SCHEMBL703760 0.61 CYP2A6 (0.46) PGRALDH1A1CYP2A6POLB
SCHEMBL20922834 0.61 TSHR (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872484-B1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2002-10-02 EP disclosed
US-5993690-A Organosilicon compound, liquid crystal composition, and liquid-crystal display element CHISSO CORPORATION (JP) 1999-11-30 US disclosed
EP-0872484-A1 ORGANOSILICON COMPOUNDS, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-10-21 EP disclosed