SCHEMBL10445840

SCHEMBL10445840

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C(F)(F)CN

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.54
ATM Q13315 1/20 0.51
CTSS P25774 3/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
REN P00797 2/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.47
AKT1 P31749 1/20 0.46

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
SCHEMBL9578954 0.87 KLK5 (0.53) KLK5ATMCTSSCTSKCTSL
SCHEMBL7355735 0.85 KLK5 (0.56) KLK5ATMCTSSCTSKCTSL
SCHEMBL7355740 0.85 KLK5 (0.56) KLK5ATMCTSSCTSKCTSL
SCHEMBL10445666 0.85 KLK5 (0.47) KLK5ATMCTSSCTSKCTSL
SCHEMBL15005230 0.83 KLK5 (0.65) KLK5ATMCTSSCTSKCTSL
SCHEMBL1601995 0.83 KLK5 (0.65) KLK5ATMCTSSCTSKCTSL
SCHEMBL1602032 0.83 KLK5 (0.65) KLK5ATMCTSSCTSKCTSL
SCHEMBL3031552 0.83 KLK5 (0.65) KLK5ATMCTSSCTSKCTSL
SCHEMBL15005231 0.83 KLK5 (0.65) KLK5ATMCTSSCTSKCTSL
SCHEMBL6556253 0.82 KLK5 (0.53) KLK5ATMCTSSCTSKCTSL

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
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed