SCHEMBL17706643

SCHEMBL17706643

CC#CC(O)C(C)C(=O)[C@H](C)C(=O)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.43
PPARA Q07869 2/20 0.41
IDH1 O75874 8/20 0.36
NAAA Q02083 1/20 0.36
FAAH O00519 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
HDAC1 Q13547 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AGTR2 P50052 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
SCHEMBL5858039 0.87 IL6ST (0.45) IL6STPPARAIDH1NAAAFAAH
SCHEMBL5501688 0.87 IL6ST (0.45) IL6STPPARAIDH1NAAAFAAH
SCHEMBL5496798 0.87 IL6ST (0.45) IL6STPPARAIDH1NAAAFAAH
SCHEMBL5501689 0.87 IL6ST (0.45) IL6STPPARAIDH1NAAAFAAH
SCHEMBL5495159 0.82 IL6ST (0.47) IL6STPPARAIDH1NAAAFAAH
SCHEMBL23461757 0.81 IL6ST (0.52) IL6STPPARAIDH1NAAAFAAH
SCHEMBL15925285 0.81 IL6ST (0.52) IL6STPPARAIDH1NAAAFAAH
SCHEMBL27133027 0.81 IL6ST (0.52) IL6STPPARAIDH1NAAAFAAH
SCHEMBL15925288 0.81 IL6ST (0.52) IL6STPPARAIDH1NAAAFAAH
SCHEMBL27133026 0.81 IL6ST (0.52) IL6STPPARAIDH1NAAAFAAH

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-3012257-A1 Leiodermatolide derivatives and their use Studiengesellschaft Kohle mbH (DE) 2016-04-27 EP disclosed