SCHEMBL4661600

SCHEMBL4661600

Cc1cc(C)cc(C(=O)NN(C(=O)c2ccc3c(c2C)OC(C(=O)O)CO3)C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.47
CYP3A4 P08684 1/20 0.44

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
SCHEMBL8617673 0.93 ABCB1 (0.51) ABCB1CYP3A4
SCHEMBL3769756 0.93 ABCB1 (0.51) ABCB1CYP3A4
SCHEMBL4659137 0.85 ABCB1 (0.55) ABCB1CYP3A4
SCHEMBL13003219 0.85 ABCB1 (0.55) ABCB1CYP3A4
SCHEMBL13003227 0.84 ABCB1 (0.49) ABCB1CYP3A4
SCHEMBL3778940 0.84 ABCB1 (0.49) ABCB1CYP3A4
SCHEMBL7476971 0.83 ABCB1 (0.50) ABCB1CYP3A4
SCHEMBL14937459 0.83 ABCB1 (0.44) ABCB1CYP3A4
SCHEMBL14937148 0.83 NPC1 (0.32) ABCB1CYP3A4
SCHEMBL13003221 0.81 ABCB1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603860-A4 DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2008-05-14 EP disclosed
EP-1603860-A2 DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene Holdings Inc. (US) 2005-12-14 EP disclosed
WO-2004072254-A2 DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES IN MAMMALIAN SYSTEMS VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE HOLDINGS, INC (US) 2004-08-26 WO disclosed