SCHEMBL1866533

SCHEMBL1866533

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
MMP8 P22894 1/20 0.40
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35

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
SCHEMBL873392 1.00 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27696749 0.93 MGAM (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13050770 0.88 MMP1 (0.31) MMP8
SCHEMBL19742741 0.87 MMP8 (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19742725 0.86 CYP19A1 (0.35) GAAMGAMSIMGAM2MMP8
SCHEMBL8041406 0.85 NAAA (0.33) ALDH1A1
SCHEMBL5972479 0.83 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12987682 0.82
SCHEMBL4393275 0.82
SCHEMBL7228511 0.82 SERPINE1 (0.33)

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-3596192-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES The Procter and Gamble Company (US) 2020-01-22 EP disclosed
WO-2018169531-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES 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-2512406-A1 PERFUMES AND PERFUME ENCAPSULATES The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2513280-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM 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-2011075556-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011075551-A1 PERFUMES AND PERFUME ENCAPSULATES 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