SCHEMBL11567669

SCHEMBL11567669

CC(C)CC(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)OCc1ccccc1)C(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.53
CTSB P07858 1/20 0.53
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 0.51
BACE1 P56817 11/20 0.51
BACE2 Q9Y5Z0 1/20 0.49

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
SCHEMBL24049735 0.93 CTSK (0.57) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL11566964 0.93 CTSK (0.57) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL11568495 0.92 BACE1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11569823 0.92 BACE1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10877170 0.90 PSEN1 (0.52) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL11567448 0.87 CTSK (0.55) CTSKCTSB
SCHEMBL8530164 0.87 PSEN1 (0.59) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL16483180 0.86 CTSK (0.55) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL31107818 0.86 CTSK (0.48) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL8137308 0.84 MEN1 (0.55) CTSKCTSBPSEN1PSEN2APH1B

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-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed