SCHEMBL8708595

SCHEMBL8708595

COc1ccc(CNN(CC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
PSEN1 P49768 9/20 0.51
PSEN2 P49810 9/20 0.51
APH1B Q8WW43 9/20 0.51
NCSTN Q92542 9/20 0.51
APH1A Q96BI3 9/20 0.51
PSENEN Q9NZ42 9/20 0.51
ATM Q13315 1/20 0.46

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
SCHEMBL8708594 1.00 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8708735 0.91 KLK5 (0.51) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8708738 0.91 KLK5 (0.51) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8713521 0.86 TRPM8 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8713524 0.86 TRPM8 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL4381363 0.85 UGT1A1 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8708966 0.83 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8708969 0.83 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6443527 0.82 PSEN1 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6443524 0.82 PSEN1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed