SCHEMBL8708798

SCHEMBL8708798

CC(C)(C)OC(=O)N(C[C@H](O)[C@@H](N)Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
KLK5 Q9Y337 2/20 0.41
LAP3 P28838 3/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
CSNK1E P49674 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL8708800 1.00 ATM (0.44) ATMITGA4ITGB7KLK5LAP3
SCHEMBL8709246 0.84 REN (0.42) ATMKLK5
SCHEMBL8709243 0.84 REN (0.42) ATMKLK5
SCHEMBL8711623 0.84 REN (0.42) ATMKLK5
SCHEMBL8713524 0.82 TRPM8 (0.52) ATMKLK5PSEN1PSEN2APH1B
SCHEMBL8713521 0.82 TRPM8 (0.52) ATMKLK5PSEN1PSEN2APH1B
SCHEMBL8268266 0.82 CSNK1E (0.43) ATMITGA4ITGB7KLK5LAP3
SCHEMBL13219388 0.82 CSNK1E (0.43) ATMITGA4ITGB7KLK5LAP3
SCHEMBL8708735 0.81 KLK5 (0.51) ATMKLK5PSEN1PSEN2APH1B
SCHEMBL8708738 0.81 KLK5 (0.51) ATMKLK5PSEN1PSEN2APH1B

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