SCHEMBL3278872

SCHEMBL3278872

C=C(C)C(=O)N(CC)NCCCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 3/20 0.34
ACHE P22303 8/20 0.32
MMP2 P08253 2/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
HTT P42858 1/20 0.30
MMP1 P03956 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
SCHEMBL3280674 0.95 EPHX1 (0.38) EPHX1TSHRZDHHC20ZDHHC2
SCHEMBL3279721 0.93 EPHX1 (0.41) EPHX1TSHRZDHHC20ZDHHC2
SCHEMBL3278608 0.89 PAOX (0.31)
SCHEMBL3280474 0.87 EPHX1 (0.33) EPHX1ALOX15TSHRACHEMMP2
SCHEMBL3282446 0.87 TSHR (0.37) EPHX1ALOX15TSHRACHEMMP2
SCHEMBL3279969 0.82 EPHX1 (0.37) EPHX1TSHRZDHHC20ZDHHC2
SCHEMBL3280872 0.82 TSHR (0.40) EPHX1TSHRZDHHC20ZDHHC2
SCHEMBL3280301 0.81 TSHR (0.42) EPHX1TSHRZDHHC20ZDHHC2
SCHEMBL3280469 0.81 EPHX1 (0.40) EPHX1TSHRZDHHC20ZDHHC2
SCHEMBL3279936 0.80 ALDH1A1 (0.31)

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