SCHEMBL8892522

SCHEMBL8892522

CC(C)COc1ccc(C[C@H](NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)CC(O[Si](C)(C)C(C)(C)C)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)C(=O)O)cc1.NC(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
APP P05067 1/20 0.40
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
ACE P12821 3/20 0.37
YAP1 P46937 1/20 0.36
PTPN1 P18031 1/20 0.36
REN P00797 3/20 0.36
BACE1 P56817 2/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL8892881 0.98 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893564 0.97 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892414 0.91 ITGB3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893043 0.91 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893631 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893525 0.85 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8896021 0.85 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8895266 0.85 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892225 0.82 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893270 0.82 PSEN1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed