SCHEMBL3278732

SCHEMBL3278732

CCCN(CCC)/C(C)=C(\C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 3/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
PGGT1B P53609 1/20 0.38
CA1 P00915 3/20 0.37
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
MLYCD O95822 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
SCHEMBL3282611 0.86 CA12 (0.48) CA12CA9CA2ALDH1A1HPGD
SCHEMBL3284928 0.83 FNTA (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL3277694 0.83 FNTA (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL3279297 0.83 FNTA (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL2565497 0.80 LMNA (0.44) CA12CA9ALDH1A1HPGDFNTA
SCHEMBL714284 0.80 LMNA (0.44) CA12CA9ALDH1A1HPGDFNTA
SCHEMBL10745464 0.79 CA12 (0.43) CA12CA9CA2TSHRMAPK1
SCHEMBL5065747 0.77 CA12 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL3227783 0.77 CA12 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL2770976 0.76 CA12 (0.40) CA12CA9CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US claimed
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed