SCHEMBL6406658

SCHEMBL6406658

C=CCCCOS(=O)(=O)O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
LPAR3 Q9UBY5 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 3/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.31
CA1 P00915 3/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL786527 0.98 CA2 (0.45) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL15357326 0.89 LPAR3 (0.50) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL16148839 0.89 LPAR3 (0.50) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL28968184 0.89 LPAR3 (0.50) CA2CA9LPAR3LPAR2ALDH1A1
Ammonia Solution, Strong SCHEMBL8154352 0.88 LPAR3 (0.48) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL5969210 0.84
SCHEMBL16589829 0.79 LPAR3 (0.44) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL28667870 0.77 CA2 (0.38) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL5571140 0.76 CA2 (0.45) CA2CA9LPAR3LPAR2ALDH1A1
SCHEMBL18063371 0.76 CA2 (0.75) CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979667-B1 Perfume compositions and methods to mask amine malodors THE PROCTER & GAMBLE COMPANY (US) 2005-12-27 US disclosed
EP-1161515-A1 PERFUME COMPOSITIONS AND METHODS TO MASK AMINE MALODORS THE PROCTER & GAMBLE COMPANY (US) 2001-12-12 EP disclosed
WO-2000055288-A1 PERFUME COMPOSITIONS AND METHODS TO MASK AMINE MALODORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-21 WO disclosed