SCHEMBL3280671

SCHEMBL3280671

C=C(C)C(=O)NCCNCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 7/20 0.44
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
S1PR5 Q9H228 1/20 0.42
PLA2G2A P14555 2/20 0.41
CASP2 P42575 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL3279716 0.98 PAOX (0.47) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL522678 0.94 PAOX (0.46) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL3279963 0.94 PAOX (0.55) PAOXALDH1A1TSHREPHX1S1PR2
Dipentylamine SCHEMBL8604792 0.93 PAOX (0.53) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL3280866 0.93 PAOX (0.53) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL3280463 0.93 EPHX1 (0.53) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL2832070 0.91 EPHX1 (0.53) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL2828036 0.91 EPHX1 (0.53) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL1846396 0.91 EPHX1 (0.52) PAOXALDH1A1TSHREPHX1S1PR2
SCHEMBL3280294 0.91 EPHX1 (0.52) PAOXALDH1A1TSHREPHX1S1PR2

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