SCHEMBL2779356

SCHEMBL2779356

CCCC(N(NC(=O)c1ccc(OC)c(OC)c1)C(=O)c1cc(C)cc(C)c1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.44
TAS1R1 Q7RTX1 5/20 0.44
PKM P14618 1/20 0.44
ABCB1 P08183 6/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
SLC6A4 P31645 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2682439 1.00 TAS1R3 (0.44) TAS1R3TAS1R1PKMABCB1CYP3A4
SCHEMBL27818652 0.96 TAS1R3 (0.42) TAS1R3TAS1R1PKMABCB1CYP3A4
SCHEMBL2682545 0.90 ABCB1 (0.43) ABCB1CYP3A4MEN1KMT2A
SCHEMBL27818653 0.90 ABCB1 (0.43) ABCB1CYP3A4MEN1KMT2A
SCHEMBL19946436 0.90 ABCB1 (0.43) ABCB1CYP3A4MEN1KMT2A
SCHEMBL2681891 0.90 ABCB1 (0.43) ABCB1CYP3A4MEN1KMT2A
SCHEMBL2682521 0.88 ABCB1 (0.47) TAS1R3TAS1R1ABCB1CYP3A4MAPT
SCHEMBL14763701 0.88 ABCB1 (0.47) TAS1R3TAS1R1ABCB1CYP3A4MAPT
SCHEMBL2682600 0.86 ABCB1 (0.52) ABCB1CYP3A4
SCHEMBL2682676 0.86 ABCB1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357904-B1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX PRECIGEN INC (US) 2022-07-06 EP disclosed
EP-2167458-B1 CHIRAL DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2018-03-14 EP disclosed
EP-2167458-B1 CHIRAL DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2018-03-14 EP disclosed
EP-2167458-A1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX Intrexon Corporation (US) 2010-03-31 EP disclosed
WO-2008153801-A1 CHIRAL DIACHYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORPORATION (US) 2008-12-18 WO disclosed