SCHEMBL8368680

SCHEMBL8368680

C#CC[C@H](NC(=O)CCSc1cccc(Cl)c1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC#C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.39
METAP2 P50579 1/20 0.39
HPGD P15428 3/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
TSHR P16473 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
THRB P10828 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
SCHEMBL8368292 0.77 REN (0.45) RENHPGDPSEN1PSEN2APH1B
SCHEMBL5709573 0.71 REN (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL5709629 0.64 REN (0.60) REN
SCHEMBL7411200 0.64 REN (0.66) REN
SCHEMBL7408319 0.64 REN (0.65) REN
SCHEMBL7311911 0.63 REN (0.57) REN
SCHEMBL14743505 0.62 EPHX2 (0.57) HPGDTSHR
SCHEMBL6925430 0.62 REN (0.60) REN
SCHEMBL6844216 0.62 CTSS (0.50) REN
SCHEMBL9589767 0.61 CTSS (0.49) 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-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed