SCHEMBL9102689

SCHEMBL9102689

COc1cc(C)ccc1C(=O)NN(C(=O)c1cccc(OC)c1C)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.71
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL5058444 0.95 ABCB1 (0.74) ABCB1
SCHEMBL9237401 0.92 ABCB1 (0.72) ABCB1
SCHEMBL17416621 0.90 ABCB1 (0.66) ABCB1NPC1RAB9A
SCHEMBL5056990 0.90 ABCB1 (0.76) ABCB1
SCHEMBL8998725 0.86 ABCB1 (0.70) ABCB1
SCHEMBL5062578 0.85 ABCB1 (0.69) ABCB1
SCHEMBL3380590 0.85 ABCB1 (0.83) ABCB1
SCHEMBL7701546 0.85 ABCB1 (0.71) ABCB1
SCHEMBL5057245 0.84 ABCB1 (0.68) ABCB1
SCHEMBL5053856 0.84 ABCB1 (0.85) ABCB1NPC1RAB9A

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