SCHEMBL14937459

SCHEMBL14937459

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

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL8582099 0.94 ABCB1 (0.49) ABCB1CYP3A4
SCHEMBL3772345 0.94 ABCB1 (0.49) ABCB1CYP3A4
SCHEMBL6479571 0.85 ABCB1 (0.45) ABCB1
SCHEMBL4661600 0.83 ABCB1 (0.47) ABCB1CYP3A4
SCHEMBL8581531 0.83 ABCB1 (0.53) ABCB1CYP3A4
SCHEMBL3767661 0.83 ABCB1 (0.53) ABCB1CYP3A4
SCHEMBL13003213 0.82 ABCB1 (0.52) ABCB1CYP3A4
SCHEMBL3760034 0.82 ABCB1 (0.52) ABCB1CYP3A4
SCHEMBL16239591 0.82 ABCB1 (0.40) ABCB1CYP3A4
SCHEMBL13003215 0.81 ABCB1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932586-B2 Modified forms of Pseudomonas exotoxin A INTREXON CORPORATION (US) 2015-01-13 US disclosed
US-20130121983-A1 Modified Forms of Pseudomonas Exotoxin A INTREXON CORPORATION (US) 2013-05-16 US disclosed