SCHEMBL3280294

SCHEMBL3280294

C=C(C)C(=O)NCCCNCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.52
PAOX Q6QHF9 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
PLA2G2A P14555 1/20 0.47
CASP2 P42575 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
FAAH O00519 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
PLA2G4A P47712 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
SCHEMBL1846396 1.00 EPHX1 (0.52) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL3280463 0.98 EPHX1 (0.53) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL3280866 0.98 PAOX (0.53) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL3279963 0.96 PAOX (0.55) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL3279716 0.93 PAOX (0.47) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL2828036 0.93 EPHX1 (0.53) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL2832070 0.93 EPHX1 (0.53) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL3280464 0.93 PAOX (0.55) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL2556382 0.93 PAOX (0.50) EPHX1PAOXZDHHC20ZDHHC2PLA2G2A
SCHEMBL149423 0.93 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2PLA2G2ACASP2

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