SCHEMBL2036048

SCHEMBL2036048

CCC/C=C/COC(C)=O.CCCC=CCOC(=O)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1770629 0.93 PRKCA (0.36) PRKCAALDH1A1TDP1
SCHEMBL1770626 0.93 PRKCA (0.36) PRKCAALDH1A1TDP1
3-Methylbutanoic Acid SCHEMBL1868123 0.87 PLA2G10 (0.35) PRKCAPTPN1ALDH1A1ALOX15TDP1
SCHEMBL112504 0.84 ALDH1A1 (0.44) PRKCAPTPN1ALDH1A1ALOX15LMNA
SCHEMBL112505 0.84 ALDH1A1 (0.44) PRKCAPTPN1ALDH1A1ALOX15LMNA
SCHEMBL891744 0.84 ALDH1A1 (0.44) PRKCAPTPN1ALDH1A1ALOX15LMNA
SCHEMBL28588909 0.83 F7 (0.41) PRKCAALDH1A1
SCHEMBL28766201 0.83 F7 (0.41) PRKCAALDH1A1
Acetic Acid SCHEMBL28335241 0.81 ALDH1A1 (0.41) PRKCAPTPN1ALDH1A1ALOX15LMNA
Acetic Acid SCHEMBL28335240 0.81 ALDH1A1 (0.41) PRKCAPTPN1ALDH1A1ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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