SCHEMBL17416625

SCHEMBL17416625

COc1cccc(C(=O)N(NC(C)(C)C)C(=O)c2cc(C)cc(C)c2)c1CO

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.52
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL2482845 0.92 ABCB1 (0.51) ABCB1NPC1RAB9A
SCHEMBL17416624 0.88 ABCB1 (0.53) ABCB1NPC1RAB9AKCNK3KCNK9
SCHEMBL7067587 0.87 ABCB1 (0.64) ABCB1NPC1RAB9AKCNK3KCNK9
SCHEMBL9099071 0.85 ABCB1 (0.53) ABCB1NPC1RAB9AKCNK3KCNK9
SCHEMBL14688168 0.84 ABCB1 (0.43) ABCB1NPC1RAB9AKCNK3KCNK9
SCHEMBL9232983 0.82 ABCB1 (0.48) ABCB1NPC1RAB9A
SCHEMBL9105189 0.82 ABCB1 (0.43) ABCB1NPC1RAB9A
SCHEMBL9101226 0.81 ABCB1 (0.47) ABCB1NPC1RAB9A
SCHEMBL17416606 0.81 ABCB1 (0.56) ABCB1NPC1RAB9AKCNK3KCNK9
SCHEMBL668263 0.79 ABCB1 (0.78) ABCB1

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-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed