SCHEMBL901267

SCHEMBL901267

CCC(C)CO.CCC(C)CO

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 3/20 0.36
CNR1 P21554 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCC3 O15438 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 3/20 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
SCHEMBL178293 1.00
SCHEMBL23480 1.00
SCHEMBL10669 1.00
SCHEMBL28466623 0.96
Alcohol SCHEMBL2948661 0.96
Alcohol SCHEMBL4337665 0.96
Hydrochloric Acid SCHEMBL2153659 0.96
SCHEMBL842225 0.96
Alcohol SCHEMBL2946876 0.96
Methyl Alcohol SCHEMBL9416660 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764110-A1 METHOD FOR THE SIMULTANEOUS PRODUCTION OF ETHANOL AND A FERMENTED, SOLID PRODUCT Hamlet Protein A/S (DK) 2014-08-13 EP disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2013050456-A1 METHOD FOR THE SIMULTANEOUS PRODUCTION OF ETHANOL AND A FERMENTED, SOLID PRODUCT HAMLET PROTEIN A/S (DK) 2013-04-11 WO disclosed
EP-2555763-A1 VIRAL INHIBITOR COMPOSITIONS FOR IN VIVO THERAPEUTIC USE COMPRISING A COMBINATION OF (-) -CARVONE, GERANIOL AND A FURTHER ESSENTIAL OIL COMPONENT Cesa Alliance S.A. (LU) 2013-02-13 EP disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed