SCHEMBL3280872

SCHEMBL3280872

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
EPHX1 P07099 8/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CASP2 P42575 1/20 0.34
DNM1 Q05193 2/20 0.33
FAAH O00519 2/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL3280301 0.98 TSHR (0.42) TSHREPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL3282446 0.95 TSHR (0.37) TSHREPHX1DNM1ALDH1A1
SCHEMBL3279969 0.93 EPHX1 (0.37) TSHREPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL3280469 0.92 EPHX1 (0.40) TSHREPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL3280474 0.88 EPHX1 (0.33) TSHREPHX1DNM1
SCHEMBL3280674 0.88 EPHX1 (0.38) TSHREPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL3278948 0.87 TSHR (0.32) TSHR
SCHEMBL3279721 0.86 EPHX1 (0.41) TSHREPHX1ZDHHC20ZDHHC2CASP2
SCHEMBL3279923 0.84 TSHR (0.33) TSHREPHX1ZDHHC20ZDHHC2DNM1
SCHEMBL3278872 0.82 EPHX1 (0.34) TSHREPHX1ZDHHC20ZDHHC2

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