SCHEMBL811663

SCHEMBL811663

CCCCCCC[CH]CCC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
TSHR P16473 3/20 0.39
DNM1 Q05193 5/20 0.36
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL16178853 1.00 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4634958 0.98 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6061890 0.98 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19873144 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8106905 0.87 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11213034 0.87 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3407392 0.87 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19873145 0.87 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22589018 0.87 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5942633 0.87 ACE2 (0.47) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399963-A1 A coating composition PPG Coatings Europe B.V. (NL) 2011-12-28 EP disclosed