SCHEMBL3284597

SCHEMBL3284597

CCCCCCCNCC=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
EP300 Q09472 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
S1PR5 Q9H228 1/20 0.41
PAOX Q6QHF9 1/20 0.39
CASP2 P42575 1/20 0.39
KDM1A O60341 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3277709 1.00 EPHX1 (0.44) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL3285616 1.00 EPHX1 (0.44) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL3285129 0.98 ALDH1A1 (0.43) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL3279684 0.85 PAOX (0.39) ADH1BADH1AADH7EP300PAOX
SCHEMBL10752135 0.84 EP300 (0.55) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL4275964 0.84 EP300 (0.46) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL4278624 0.84 EP300 (0.46) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10753758 0.84 EP300 (0.46) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL4265921 0.84 EP300 (0.46) EPHX1ADH1BADH1CADH1AADH4
Bromide SCHEMBL17458818 0.83 EP300 (0.53) EPHX1ADH1BADH1CADH1AADH4

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