SCHEMBL8712293

SCHEMBL8712293

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
PGC P20142 1/20 0.43
KLK5 Q9Y337 2/20 0.41
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

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
SCHEMBL8709813 1.00 REN (0.43) RENCTSDCTSEPGCKLK5
SCHEMBL8709818 1.00 REN (0.43) RENCTSDCTSEPGCKLK5
SCHEMBL8712611 0.90 REN (0.53) RENCTSDCTSEPGCKLK5
SCHEMBL8712609 0.90 REN (0.53) RENCTSDCTSEPGCKLK5
SCHEMBL8708969 0.85 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8708966 0.85 KLK5 (0.43) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8709246 0.84 REN (0.42) RENKLK5
SCHEMBL8709243 0.84 REN (0.42) RENKLK5
SCHEMBL8711623 0.84 REN (0.42) RENKLK5
SCHEMBL6445403 0.81 CTSD (0.57) RENCTSDCTSEPGCKLK5

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