SCHEMBL5501033

SCHEMBL5501033

CCCP(=O)(CC)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL2990317 0.83
SCHEMBL2990212 0.79 FFAR3 (0.33) LPAR3LPAR2GABBR2GABBR1MMP1
SCHEMBL3467098 0.72 FFAR3 (0.36) LPAR3LPAR2TDP1MMP1MMP2
SCHEMBL2982566 0.67 TSHR (0.35) LPAR3LPAR2ALDH1A1MMP1MMP2
SCHEMBL3469836 0.65
SCHEMBL2982568 0.65 GABBR2 (0.40) LPAR3LPAR2ALDH1A1TDP1GABBR2
SCHEMBL2989919 0.65 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2982562 0.65 GABBR2 (0.40) LPAR3LPAR2ALDH1A1TDP1GABBR2
SCHEMBL29486933 0.63
SCHEMBL11402379 0.63 LPAR3 (0.55) LPAR3LPAR2ALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678289-B1 BAR SOAP COMPOSITION WITH REDUCED BAR WEAR PROPERTIES COLGATE PALMOLIVE CO (US) 2007-04-11 EP disclosed