SCHEMBL7877924

SCHEMBL7877924

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CC2CC2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
REN P00797 10/20 0.49
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
ATM Q13315 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5225871 0.84 KLK5 (0.57) KLK5RENPSEN1PSEN2APH1B
SCHEMBL5386298 0.81 KLK5 (0.57) KLK5RENATMKMT2A
SCHEMBL5386289 0.81 KLK5 (0.57) KLK5RENATMKMT2A
SCHEMBL5220702 0.81 REN (0.58) KLK5RENATM
SCHEMBL30318981 0.81 REN (0.58) KLK5RENATM
SCHEMBL5379396 0.80 KLK5 (0.54) KLK5RENPSEN1PSEN2APH1B
SCHEMBL5379391 0.80 KLK5 (0.54) KLK5RENPSEN1PSEN2APH1B
SCHEMBL5379400 0.80 KLK5 (0.54) KLK5RENPSEN1PSEN2APH1B
SCHEMBL5222893 0.79 KLK5 (0.59) KLK5RENPSEN1PSEN2APH1B
SCHEMBL6205577 0.79 KLK5 (0.59) KLK5RENPSEN1PSEN2APH1B

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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed