SCHEMBL10722673

SCHEMBL10722673

CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
CTSS P25774 1/20 0.46
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
REN P00797 3/20 0.44
APP P05067 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
KLK5 Q9Y337 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL7437687 0.83 ATM (0.53) CTSKCTSSPSEN1PSEN2APH1B
SCHEMBL10188332 0.83 CTSK (0.51) CTSKCTSSPSEN1PSEN2APH1B
SCHEMBL22409488 0.79 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13929428 0.78 LMNA (0.58) CTSKCTSSMAPTATM
SCHEMBL13996047 0.78 LMNA (0.58) CTSKCTSSMAPTATM
SCHEMBL14011507 0.78 LMNA (0.58) CTSKCTSSMAPTATM
SCHEMBL90531 0.77 CA1 (0.63) CTSKCTSSCA1CA2CA7
SCHEMBL16690468 0.77 CA1 (0.63) CTSKCTSSCA1CA2CA7
SCHEMBL10684957 0.76 REN (0.52) CTSKCTSSPSEN1PSEN2APH1B
SCHEMBL9282508 0.76 PSEN1 (0.59) CTSSPSEN1PSEN2APH1BNCSTN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed