SCHEMBL9101070

SCHEMBL9101070

CCc1c(C(=O)N(NC(=O)c2ccc(F)c(F)c2F)C(C)(C)C)ccc2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL5062182 0.96 HPGD (0.41) HPGDSMN1; SMN2ABCB1CYP3A4NR1H2
SCHEMBL5058572 0.91 HPGD (0.40) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL9102918 0.89 HPGD (0.37) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL5056861 0.87 HPGD (0.37) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL5057398 0.86 ABCB1 (0.44) ABCB1
SCHEMBL5053791 0.84 ABCB1 (0.39) ABCB1
SCHEMBL5057019 0.82 HPGD (0.43) HPGDSMN1; SMN2ABCB1CYP3A4
SCHEMBL8998876 0.79 ABCB1 (0.57) ABCB1CYP3A4
SCHEMBL5057464 0.79 CTNNB1 (0.47) SMN1; SMN2ABCB1
SCHEMBL668845 0.77 ABCB1 (0.50) 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-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