SCHEMBL3279734

SCHEMBL3279734

C=CC(=O)NCCCNCCCCCC

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.86
ZDHHC2 Q9UIJ5 1/20 0.86
EPHX1 P07099 8/20 0.52
PAOX Q6QHF9 1/20 0.47
CASP2 P42575 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
EGFR P00533 1/20 0.45
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
NAAA Q02083 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL3282422 0.98 ZDHHC20 (0.89) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL3280444 0.98 ZDHHC20 (0.82) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL3286695 0.96 ZDHHC20 (0.85) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL3278954 0.93 ZDHHC20 (0.79) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL14457095 0.93 ZDHHC20 (0.79) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL7105008 0.93 ZDHHC20 (0.79) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL2831580 0.93 ZDHHC20 (0.79) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL3286087 0.93 ZDHHC20 (0.79) ZDHHC20ZDHHC2EPHX1PAOXCASP2
SCHEMBL3279717 0.93 ZDHHC20 (0.72) ZDHHC20ZDHHC2EPHX1PAOXALDH1A1
SCHEMBL8087553 0.93 ZDHHC20 (1.00) ZDHHC20ZDHHC2EPHX1CASP2ALDH1A1

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