SCHEMBL6446803

SCHEMBL6446803

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](C[C@H](Cc1ccccc1)C(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
APP P05067 2/20 0.46
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7796450 1.00 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7283432 1.00 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5142842 1.00 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6305846 1.00 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7398818 1.00 KLK5 (0.47) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7635831 0.96 KLK5 (0.44) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7635824 0.96 KLK5 (0.44) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9546495 0.95 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7636604 0.95 CTSS (0.48) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9546501 0.95 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN

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-6969731-B1 Protease inhibitors that overcome drug resistance The University of Illinois, Board of Trustees (US) 2005-11-29 US disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 WO disclosed