SCHEMBL5211336

SCHEMBL5211336

CCc1ccc(C(=O)N(NC(=O)c2ccccc2OC)C(C)(C)C)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 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
SCHEMBL5058463 0.96 ABCB1 (0.49) ABCB1SMN1; SMN2HPGDNPC1
SCHEMBL5062407 0.82 ABCB1 (0.53) ABCB1SMN1; SMN2HPGD
SCHEMBL9714501 0.82 ABCB1 (0.60) ABCB1
SCHEMBL9903862 0.81 HPGD (0.63) ABCB1SMN1; SMN2HPGD
SCHEMBL5209743 0.80 ABCB1 (0.57) ABCB1SMN1; SMN2HPGDNPC1
SCHEMBL5064387 0.79 HPGD (0.63) ABCB1SMN1; SMN2HPGD
SCHEMBL5053794 0.79 HPGD (0.43) ABCB1SMN1; SMN2HPGDNPC1
SCHEMBL5062538 0.78 ABCB1 (0.55) ABCB1
SCHEMBL5056937 0.77 CYP1A2 (0.48) SMN1; SMN2HPGD
SCHEMBL5056941 0.77 HPGD (0.56) ABCB1SMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601642-A4 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2007-04-11 EP claimed
EP-1601642-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RheoGene, Inc. (US) 2005-12-07 EP claimed
WO-2004078924-A2 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE, INC. (US) 2004-09-16 WO claimed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed