SCHEMBL3279923

SCHEMBL3279923

C=C(C)C(=O)N(CCCC)NCCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 3/20 0.32
PAOX Q6QHF9 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
DNM1 Q05193 2/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL3280474 0.93 EPHX1 (0.33) TSHRCA12CA1CA9EPHX1
SCHEMBL3279969 0.91 EPHX1 (0.37) TSHRCA12CA1CA9EPHX1
SCHEMBL3280469 0.90 EPHX1 (0.40) TSHREPHX1DNM1ZDHHC20ZDHHC2
SCHEMBL3278948 0.89 TSHR (0.32) TSHR
SCHEMBL3286368 0.87 CA12 (0.34) TSHRCA12CA1CA9MMP1
SCHEMBL3282446 0.86 TSHR (0.37) TSHREPHX1MMP2DNM1
SCHEMBL3280872 0.84 TSHR (0.40) TSHREPHX1DNM1ZDHHC20ZDHHC2
SCHEMBL3278608 0.83 PAOX (0.31) PAOX
SCHEMBL3280301 0.83 TSHR (0.42) TSHREPHX1DNM1ZDHHC20ZDHHC2
SCHEMBL3283747 0.81 CA12 (0.35) TSHRCA12CA1CA9MMP1

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