SCHEMBL3281985

SCHEMBL3281985

C=C(C(=O)O)N(CCCCCC)CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA2 P00918 1/20 0.45
ZDHHC20 Q5W0Z9 2/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3279204 1.00 CA12 (0.45) CA12CA1CA9CA2ZDHHC20
SCHEMBL3281965 1.00 CA12 (0.45) CA12CA1CA9CA2ZDHHC20
SCHEMBL3278416 0.91 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL14763241 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL4622713 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL25230061 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL4623644 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL7652815 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL1416383 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL14763841 0.82 CA12 (0.52) CA12CA1CA9CA2ZDHHC20

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