SCHEMBL14725494

SCHEMBL14725494

COc1ccc(C2=CC(=O)CCc3c2cc(OC)c(OC)c3OC)cc1OC(=O)C(CC(C)C)NC(=O)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.42
PSEN2 P49810 11/20 0.42
APH1B Q8WW43 11/20 0.42
NCSTN Q92542 11/20 0.42
APH1A Q96BI3 11/20 0.42
PSENEN Q9NZ42 11/20 0.42
APP P05067 1/20 0.41
REN P00797 7/20 0.40
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL14725528 0.91 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14721499 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725511 0.88 SRC (0.40) REN
SCHEMBL14725258 0.88 METAP2 (0.40)
SCHEMBL14725433 0.83 TSHR (0.38) REN
SCHEMBL14725437 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725543 0.79 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725517 0.79 AAK1 (0.44) REN
SCHEMBL14725254 0.79 METAP2 (0.42)
SCHEMBL14725272 0.78 METAP2 (0.41) REN

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-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed