SCHEMBL1869451

SCHEMBL1869451

CC(C)CCOC(=O)C(C)C.CC(C)CCOC(=O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
SLC22A1 O15245 1/20 0.36

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
SCHEMBL351059 1.00 CA1 (0.48) CA1CA12CA2CA9CYP19A1
SCHEMBL5139785 0.93 CA12 (0.43) CA1CA12CA2CA9CYP19A1
Propionic Acid SCHEMBL15378064 0.89 FFAR3 (0.42) CA1CA12CA2CA9CYP19A1
SCHEMBL17169727 0.86 TDP1 (0.44) CA1CA12CA2CA9CYP19A1
Ethyl Acetate SCHEMBL31147805 0.85 ALDH1A1 (0.54) CA1CA12CA2CA9CYP19A1
SCHEMBL4675873 0.85 BLM (0.39) CA1CA12CA2CA9CYP19A1
SCHEMBL11063918 0.84 CA1 (0.36) CA1CA12CA2CA9CYP19A1
SCHEMBL7222773 0.83 RARB (0.41) CA1CA12CA2CA9ALDH1A1
Ethylene Glycol Diisobutanoate SCHEMBL843146 0.83 TSHR (0.36) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14462537 0.83 BLM (0.52) CA1CA12CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664900-A1 PHOTOSENSITIVE MICROCAPSULES Procter & Gamble International Operations SA (CH) 2020-06-17 EP disclosed
EP-3596195-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE The Procter and Gamble Company (US) 2020-01-22 EP disclosed
EP-3596192-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES The Procter and Gamble Company (US) 2020-01-22 EP disclosed
WO-2019030393-A1 PHOTOSENSITIVE MICROCAPSULES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2019-02-14 WO disclosed
WO-2018169531-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
WO-2018169532-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
WO-2017158497-A1 HYDROPHOBICALLY MODIFIED UREA ETHERS AS STRUCTURANTS FOR HYDROPHOBIC SYSTEMS PROCTER & GAMBLE INERNATIONAL OPERATIONS SA (CH) 2017-09-21 WO disclosed
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
EP-2513280-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512406-A1 PERFUMES AND PERFUME ENCAPSULATES The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2496681-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2012085864-A1 ENCAPSULATES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2012-06-28 WO disclosed
WO-2011075551-A1 PERFUMES AND PERFUME ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011075556-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011056934-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed