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SCHEMBL14725437

SCHEMBL14725437

COc1ccc(C2=CC(NC(=O)C(CC(C)C)NC(=O)C(O)C(Cc3ccccc3)NC(=O)OC(C)(C)C)CCc3c2cc(OC)c(OC)c3OC)cc1N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.40
▸ PSEN2 P49810 5/20 0.40
▸ APH1B Q8WW43 5/20 0.40
▸ NCSTN Q92542 5/20 0.40
▸ APH1A Q96BI3 5/20 0.40
▸ PSENEN Q9NZ42 5/20 0.40
▸ APP P05067 1/20 0.40
▸ REN P00797 14/20 0.40

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
SCHEMBL14725250 0.89 METAP2 (0.39) REN
SCHEMBL14725543 0.88 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725494 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725528 0.81 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725380 0.80 PTPN1 (0.39) REN
SCHEMBL14725395 0.79 METAP2 (0.39) —
SCHEMBL14721499 0.75 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14725256 0.74 METAP2 (0.39) —
SCHEMBL14725433 0.73 TSHR (0.38) REN
SCHEMBL14725257 0.72 METAP2 (0.38) —

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