SCHEMBL4197569

SCHEMBL4197569

CCCCC[CH]CCC(C)CCC(CCC)CCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.35
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
TSHR P16473 2/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL3407392 0.86 ADH1B (0.39) ACE2ADH1BADH1CADH1AADH4
SCHEMBL7176175 0.84 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11657689 0.82 ACE2 (0.47) ACE2ADH1BADH1CADH1AADH4
SCHEMBL5942633 0.82 ACE2 (0.47) ACE2ADH1BADH1CADH1AADH4
SCHEMBL19873145 0.82 ACE2 (0.47) ACE2ADH1BADH1CADH1AADH4
SCHEMBL22589018 0.82 ACE2 (0.47) ACE2ADH1BADH1CADH1AADH4
SCHEMBL8106905 0.82 ACE2 (0.47) ACE2ADH1BADH1CADH1AADH4
SCHEMBL11213034 0.82 ACE2 (0.47) ACE2ADH1BADH1CADH1AADH4
SCHEMBL4034493 0.81 ACE2 (0.43) ACE2ADH1BADH1CADH1AADH4
SCHEMBL2487243 0.80 ACE2 (0.46) ACE2ADH1BADH1CADH1AADH4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916889-A4 METHODS OF ALTERING POPPY CHARACTERISTICS GLAXOSMITHKLINE AUSTRALIA PTY (AU) 2009-03-11 EP disclosed
EP-1916889-A1 METHODS OF ALTERING POPPY CHARACTERISTICS Glaxosmithkline Australia PTY Ltd. (AU) 2008-05-07 EP disclosed
WO-2007022561-A1 METHODS OF ALTERING POPPY CHARACTERISTICS GLAXOSMITHKLINE AUSTRALIA PTY LTD (AU) 2007-03-01 WO disclosed