SCHEMBL8712609

SCHEMBL8712609

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(NCC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.53
KLK5 Q9Y337 3/20 0.51
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
ATM Q13315 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSD P07339 1/20 0.45
CTSE P14091 1/20 0.45
PGC P20142 1/20 0.45

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
SCHEMBL8712611 1.00 REN (0.53) RENKLK5PSEN1PSEN2APH1B
SCHEMBL8709813 0.90 REN (0.43) RENKLK5PSEN1PSEN2APH1B
SCHEMBL8709818 0.90 REN (0.43) RENKLK5PSEN1PSEN2APH1B
SCHEMBL8712293 0.90 REN (0.43) RENKLK5PSEN1PSEN2APH1B
SCHEMBL8709243 0.88 REN (0.42) RENKLK5ATMKMT2A
SCHEMBL8709246 0.88 REN (0.42) RENKLK5ATMKMT2A
SCHEMBL8711623 0.88 REN (0.42) RENKLK5ATMKMT2A
SCHEMBL8709237 0.85 REN (0.51) REN
SCHEMBL7371915 0.85 REN (0.53) RENKLK5CTSDCTSEPGC
SCHEMBL7370041 0.85 REN (0.53) RENKLK5CTSDCTSEPGC

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