SCHEMBL17048844

SCHEMBL17048844

CC(Cc1ccccc1)[Si]1(C)CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
TAAR1 Q96RJ0 5/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MAOA P21397 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC18A2 Q05940 1/20 0.36
CYP2D6 P10635 1/20 0.36
TRPA1 O75762 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9237606 0.83 TAAR1 (0.33) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10936708 0.76 CYP2D6 (0.32) SLC6A3CYP2D6HTR2AKCNH2
SCHEMBL9308520 0.70 TP53 (0.31)
SCHEMBL338865 0.68 SLC6A3 (0.33) SIGMAR1TAAR1SLC6A3CYP2A6SLC18A2
SCHEMBL8389049 0.67
Tetrahydrofuran SCHEMBL181598 0.67 TRPA1 (0.57) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4355743 0.66 CALM1 (0.31)
SCHEMBL16461174 0.66 TRPA1 (0.33) TRPA1
SCHEMBL29017816 0.66 TP53 (0.34)
SCHEMBL2404033 0.66 TAAR1 (0.39) TAAR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707231-A1 ANTI-FOAM COMPOSITIONS The Procter and Gamble Company (US) 2020-09-16 EP disclosed
EP-3411465-A1 COMPOSITIONS CONTAINING ANTIFOAMS The Procter and Gamble Company (US) 2018-12-12 EP disclosed
EP-3411425-A1 ANTIFOAM MOLECULES AND COMPOSITIONS The Procter and Gamble Company (US) 2018-12-12 EP disclosed
WO-2017136370-A1 COMPOSITIONS CONTAINING ANTIFOAMS THE PROCTER & GAMBLE COMPANY (US) 2017-08-10 WO disclosed
WO-2017136369-A1 ANTIFOAM MOLECULES AND COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-10 WO disclosed
EP-3191569-A1 DETERGENT COMPOSITIONS CONTAINING A BRANCHED SURFACTANT The Procter and Gamble Company (US) 2017-07-19 EP disclosed
EP-3191570-A2 DETERGENT COMPOSITIONS CONTAINING A BRANCHED SURFACTANT The Procter and Gamble Company (US) 2017-07-19 EP disclosed
EP-3110935-A1 ANTI-FOAM COMPOSITIONS The Procter & Gamble Company (US) 2017-01-04 EP disclosed
WO-2016040241-A1 DETERGENT COMPOSITIONS CONTAINING A BRANCHED SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2016-03-17 WO disclosed
WO-2016040248-A2 DETERGENT COMPOSITIONS CONTAINING A BRANCHED SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 2016-03-17 WO disclosed
WO-2015130872-A1 ANTI-FOAM COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2015-09-03 WO disclosed