SCHEMBL7216967

SCHEMBL7216967

CC(C)(C)OC(=O)NC(Cc1cccc2ccccc12)C(O)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
KLK5 Q9Y337 3/20 0.52
CYP3A4 P08684 5/20 0.45
REN P00797 1/20 0.43
APP P05067 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CTNNB1 P35222 1/20 0.41

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
SCHEMBL2297914 1.00 CTSS (0.59) CTSSCTSKKLK5CYP3A4REN
SCHEMBL25075938 0.87 CTSS (0.61) CTSSCTSKKLK5CYP3A4CTNNB1
SCHEMBL28133826 0.85 CTSS (0.62) CTSSCTSKCYP3A4APPCTNNB1
SCHEMBL9815894 0.82 KLK5 (0.71) CTSSCTSKKLK5RENAPP
SCHEMBL8787243 0.82 KLK5 (0.71) CTSSCTSKKLK5RENAPP
SCHEMBL9832414 0.82 KLK5 (0.71) CTSSCTSKKLK5RENAPP
SCHEMBL6873021 0.82 KLK5 (0.71) CTSSCTSKKLK5RENAPP
SCHEMBL7356467 0.82 CTSL (0.61) CTSSCTSKREN
SCHEMBL4600435 0.81 CTSS (0.76) CTSSCTSKCYP3A4
SCHEMBL4122289 0.81 CTSS (0.76) CTSSCTSKCYP3A4

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-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 US disclosed