SCHEMBL16239591

SCHEMBL16239591

Cc1ccc(S(=O)(=O)OCC2COc3ccc(C(=O)N(NC(=O)c4cc(C)cc(C)c4)C(C)(C)C)c(C)c3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3761311 0.94 ABCB1 (0.45) ABCB1CYP3A4
SCHEMBL8616209 0.94 ABCB1 (0.45) ABCB1CYP3A4
SCHEMBL16239512 0.86 STAT3 (0.33) CYP3A4
SCHEMBL14937459 0.82 ABCB1 (0.44) ABCB1CYP3A4
SCHEMBL16254689 0.82 ABCB1 (0.52) ABCB1CYP3A4
SCHEMBL8594657 0.80 ABCB1 (0.49) ABCB1CYP3A4
SCHEMBL3761452 0.80 ABCB1 (0.49) ABCB1CYP3A4
SCHEMBL13003205 0.79 ABCB1 (0.47) ABCB1CYP3A4
SCHEMBL3772859 0.79 ABCB1 (0.47) ABCB1CYP3A4
SCHEMBL4661600 0.79 ABCB1 (0.47) ABCB1CYP3A4

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-2455375-B1 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORP (US) 2014-11-19 EP disclosed