SCHEMBL5076122

SCHEMBL5076122

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C9 P11712 2/20 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
SCHEMBL5076118 1.00 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL27570223 0.85 GLO1 (0.45) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL17531543 0.84 NPSR1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL3289816 0.83 GLO1 (0.44) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL29100689 0.82 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL17531544 0.81 NPSR1 (0.39) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1063229 0.80 GLO1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL22716051 0.80 GLO1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL22716716 0.80 GLO1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL14211015 0.80 GLO1 (0.41) GLO1ALDH1A1LMNAHSD17B10NPSR1

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-0838215-B1 Use of unsaturated aliphatic esters in perfumery FIRMENICH & CIE (CH) 2004-04-28 EP claimed
US-5814598-A Use of unsaturated aliphatic esters in perfumery FIRMENICH SA (CH) 1998-09-29 US claimed
JP-10130688-A None JP disclosed
US-7678740-B2 Avermectin and avermectin monosaccharide derivatives substituted in the 4″-or 4′-position having pesticidal properties MERIAL LIMITED (US) 2010-03-16 US disclosed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US disclosed
US-7378399-B2 Avermectins substituted in the 4″ and 4′-positions having pesticidal properties MERIAL LIMITED (US) 2008-05-27 US disclosed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1565420-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2005-08-24 EP disclosed
WO-2004050595-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2004-06-17 WO disclosed
US-6717007-B1 HYDROPHOSPHORYLATION OF OLEFIN WITH HYDROPHOSPHOROUS ACID IN PRESENCE OF INORGANIC PERSULFATE; ANTIMARKONIKOFF ADDITION; LOWER TEMPERATURE AND PRESSURE; MILDER PH LUPIN LIMITED (IN) 2004-04-06 US disclosed
EP-1218387-B1 AN IMPROVED REGIOSPECIFIC SYNTHESIS OF PHOSPHONOUS ACIDS LUPIN LTD (IN) 2003-05-07 EP disclosed
EP-1218387-A1 AN IMPROVED REGIOSPECIFIC SYNTHESIS OF PHOSPHONOUS ACIDS Lupin Laboratories Limited (IN) 2002-07-03 EP disclosed
WO-2001019837-A1 AN IMPROVED REGIOSPECIFIC SYNTHESIS OF PHOSPHONOUS ACIDS LUPIN LABORATORIES LIMITED (IN) 2001-03-22 WO disclosed
US-5814598-A Use of unsaturated aliphatic esters in perfumery FIRMENICH SA (CH) 1998-09-29 US disclosed
JP-H10130688-A AROMATIZING COMPOSITION, PERFUME PREPARATION, AND METHOD FOR IMPARTING, IMPROVING, INCREASING, OR CHANGING ODOR PROPERTIES OF AROMATIZING COMPOSITION OR PERFUME PREPARATION FIRMENICH SA 1998-05-19 JP disclosed