SCHEMBL12331875

SCHEMBL12331875

COC(C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3CC[C@H]4C(C)(C)C(O[C@H]5CNCCO5)CCC45CC35CCC12C)C(OC)C(C)(C)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 19/20 0.54
▸ CYP3A4 P08684 9/20 0.39
▸ 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

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
SCHEMBL12331192 0.93 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL12233908 0.93 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL12233450 0.87 APP (0.51) APPCYP3A4
SCHEMBL14768521 0.85 APP (0.53) APPCYP3A4
SCHEMBL14753072 0.83 APP (0.45) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14754610 0.82 APP (0.62) APPCYP3A4
SCHEMBL12331649 0.80 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL12331514 0.79 APP (0.45) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14753312 0.79 APP (0.51) APPCYP3A4
SCHEMBL14755361 0.79 APP (0.61) APPCYP3A4

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-2011109657-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-09-09 — — WO disclosed
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