SCHEMBL3284591

SCHEMBL3284591

CCCCCCCN/C(C)=C(\C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.57
CASP2 P42575 1/20 0.52
THRB P10828 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
PGGT1B P53609 1/20 0.50
FAAH O00519 1/20 0.49
NAAA Q02083 2/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
PLA2G2A P14555 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
PRCP P42785 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3285612 1.00 EPHX1 (0.57) EPHX1CASP2THRBFNTAFNTB
SCHEMBL17845061 1.00 EPHX1 (0.57) EPHX1CASP2THRBFNTAFNTB
SCHEMBL17845063 1.00 EPHX1 (0.57) EPHX1CASP2THRBFNTAFNTB
SCHEMBL3277705 1.00 EPHX1 (0.57) EPHX1CASP2THRBFNTAFNTB
SCHEMBL3285121 0.98 EPHX1 (0.54) EPHX1CASP2THRBFNTAFNTB
SCHEMBL3279679 0.83 MMP1 (0.41) EPHX1THRBFNTAFNTBPGGT1B
SCHEMBL30229366 0.82 EPHX1 (0.55) EPHX1CASP2THRBFNTAFNTB
SCHEMBL1275796 0.81 EPHX1 (0.53) EPHX1CASP2THRBFNTAFNTB
SCHEMBL6064920 0.81 EPHX1 (0.53) EPHX1CASP2THRBFNTAFNTB
SCHEMBL1275792 0.81 EPHX1 (0.53) EPHX1CASP2THRBFNTAFNTB

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-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US claimed
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed