SCHEMBL3280711

SCHEMBL3280711

C=CC(=O)N(CC)NCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
ZDHHC20 Q5W0Z9 3/20 0.35
ZDHHC2 Q9UIJ5 2/20 0.35
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3280461 0.83 ZDHHC20 (0.36) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL3285674 0.83 ZDHHC20 (0.40) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL9587041 0.82 TSHR (0.39) ALDH1A1TSHRZDHHC20ZDHHC2MAPK1
SCHEMBL3278930 0.80 ZDHHC20 (0.42) ALDH1A1TSHRZDHHC20ZDHHC2MAPK1
SCHEMBL3279310 0.80 ZDHHC20 (0.45) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL3283580 0.80
SCHEMBL3278186 0.79 ZDHHC20 (0.49) TSHRZDHHC20ZDHHC2
SCHEMBL3278958 0.77 ZDHHC20 (0.51) TSHRZDHHC20ZDHHC2
SCHEMBL26979549 0.77 TSHR (0.39) ALDH1A1TSHRZDHHC20ZDHHC2MAPK1
SCHEMBL3281047 0.76

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-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed