SCHEMBL8893564

SCHEMBL8893564

CC(C)COc1ccc(C[C@H](NC(=O)C(NC(=O)C(Cc2ccc(OCc3ccccc3)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 20)

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
YAP1 P46937 2/20 0.40
APP P05067 1/20 0.40
REN P00797 1/20 0.40
PTPN1 P18031 2/20 0.39
PSMB1 P20618 2/20 0.37
PSMB8 P28062 2/20 0.37
PSMB9 P28065 2/20 0.37
PSMB5 P28074 2/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL8892522 0.97 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892414 0.91 ITGB3 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8896021 0.88 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8895266 0.88 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893525 0.88 REN (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893631 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893043 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892225 0.82 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8891461 0.82 PSMB1 (0.44) YAP1RENPSMB1PSMB8PSMB9

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-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed