SCHEMBL8030720

SCHEMBL8030720

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=NC2(c3cc(F)cc(B4OC(C)(C)C(C)(C)O4)c3)CCCC2CS1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
USP30 Q70CQ3 2/20 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
SCHEMBL2620016 1.00 BACE1 (0.41) BACE1BACE2USP30
SCHEMBL2106542 0.90 BACE1 (0.39) BACE1BACE2USP30
SCHEMBL2631701 0.89 BACE1 (0.32) BACE1BACE2
SCHEMBL2622942 0.88 BACE1 (0.39) BACE1BACE2USP30
SCHEMBL8030472 0.85 BACE1 (0.33) BACE1BACE2
SCHEMBL2108311 0.85 BACE1 (0.35) BACE1BACE2
SCHEMBL8030713 0.85 BACE1 (0.35) BACE1BACE2
SCHEMBL2109588 0.85 BACE1 (0.32) BACE1BACE2
SCHEMBL13751308 0.81 BACE1 (0.30) BACE1BACE2
SCHEMBL2109619 0.76 BACE1 (0.31) BACE1BACE2

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed