SCHEMBL7312864

SCHEMBL7312864

O=C(O)NC(CC1CCCCC1)[C@H](O)CNC[C@H](O)C(CC1CCCCC1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
REN P00797 4/20 0.38
BCHE P06276 3/20 0.37
LTA4H P09960 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
CYP2D6 P10635 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
EPHX1 P07099 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8577758 0.89 CYP2D6 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3347419 0.85 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL969137 0.85 GRN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL967760 0.85 GRN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL970762 0.85 GRN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL968972 0.84 CYP2D6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL968973 0.84 CYP2D6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3382250 0.83 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1859134 0.80 CTSK (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7268749 0.80 CTSK (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 EP disclosed