SCHEMBL3278086

SCHEMBL3278086

C=C(C(=O)O)N(CCC)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA2 P00918 3/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
CA1 P00915 4/20 0.39
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MLYCD O95822 1/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 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
SCHEMBL3278416 0.86 CA12 (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL8743893 0.85 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL3281965 0.82 CA12 (0.45) CA12CA9CA2TSHRALDH1A1
SCHEMBL3281985 0.82 CA12 (0.45) CA12CA9CA2TSHRALDH1A1
SCHEMBL3279204 0.82 CA12 (0.45) CA12CA9CA2TSHRALDH1A1
SCHEMBL322854 0.79 LMNA (0.40) CA12CA9CA2TSHRALDH1A1
SCHEMBL41505 0.78 CA12 (0.55) CA12CA9CA2TSHRMAPK1
Hydrochloric Acid SCHEMBL10822973 0.76 CA12 (0.52) CA12CA9CA2TSHRMAPK1
Bromide SCHEMBL11753648 0.76 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL28055193 0.75 CA12 (0.46) 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