Sugi Predict

Sugi Predict / Compounds / SCHEMBL14773099

SCHEMBL14773099

SCHEMBL14773099

COCCN1CC(CN2CCO[C@@H](O[C@H]3CC[C@]45C[C@]46CC[C@]4(C)[C@@H]7C(OC([C@H](OC(C)=O)C(C)(C)O)C[C@H]7C)C(=O)C4(C)C6CC[C@H]5C3(C)C)C2)C1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 16/20 0.67
▸ CYP3A4 P08684 11/20 0.67
▸ PSEN1 P49768 3/20 0.63
▸ PSEN2 P49810 3/20 0.63
▸ APH1B Q8WW43 3/20 0.63
▸ NCSTN Q92542 3/20 0.63
▸ APH1A Q96BI3 3/20 0.63
▸ PSENEN Q9NZ42 3/20 0.63

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
SCHEMBL14753443 1.00 APP (0.67) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14773173 1.00 APP (0.67) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14768494 1.00 APP (0.67) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14751837 1.00 APP (0.67) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14768524 0.90 PSEN1 (0.64) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14751701 0.90 PSEN1 (0.64) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14755397 0.90 PSEN1 (0.64) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14753401 0.90 PSEN1 (0.64) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL12210262 0.89 PSEN1 (0.68) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14750095 0.89 PSEN1 (0.72) APPCYP3A4PSEN1PSEN2APH1B

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-2013036665-A1 COMPOUNDS FOR USE IN TREATING NEURODEGENERATIVE DISORDERS, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SATORI PHARMACEUTICALS, INC. (US) 2013-03-14 — — WO disclosed
Send feedback