SCHEMBL15925296

SCHEMBL15925296

CC(C)[C@@H](C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 2/20 0.50
PPARA Q07869 2/20 0.47
NAAA Q02083 1/20 0.42
IDH1 O75874 8/20 0.41
FAAH O00519 1/20 0.40
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
AGTR2 P50052 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL15925290 1.00 IL6ST (0.50) IL6STPPARANAAAIDH1FAAH
SCHEMBL24418522 0.93 IL6ST (0.52) IL6STPPARANAAAIDH1FAAH
SCHEMBL27133027 0.89 IL6ST (0.52) IL6STPPARANAAAIDH1FAAH
SCHEMBL27133026 0.89 IL6ST (0.52) IL6STPPARANAAAIDH1FAAH
SCHEMBL15925285 0.89 IL6ST (0.52) IL6STPPARANAAAIDH1FAAH
SCHEMBL23461757 0.89 IL6ST (0.52) IL6STPPARANAAAIDH1FAAH
SCHEMBL15925288 0.89 IL6ST (0.52) IL6STPPARANAAAIDH1FAAH
SCHEMBL5500159 0.89 IL6ST (0.54) IL6STPPARANAAAIDH1FAAH
SCHEMBL5065686 0.87 PPARA (0.49) IL6STPPARANAAAIDH1FAAH
SCHEMBL21153769 0.87 PPARA (0.49) IL6STPPARANAAAIDH1FAAH

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
US-8796474-B1 Macrolide compounds and methods and intermediates useful for their preparation RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 US disclosed