SCHEMBL11566964

SCHEMBL11566964

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
CTSB P07858 1/20 0.57
PSEN1 P49768 3/20 0.54
PSEN2 P49810 3/20 0.54
APH1B Q8WW43 3/20 0.54
NCSTN Q92542 3/20 0.54
APH1A Q96BI3 3/20 0.54
PSENEN Q9NZ42 3/20 0.54
BACE1 P56817 8/20 0.54
POLB P06746 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52

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 1.00 CTSK (0.57) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL11567669 0.93 CTSK (0.53) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL8530164 0.93 PSEN1 (0.59) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL16483180 0.93 CTSK (0.55) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL8137308 0.90 MEN1 (0.55) CTSKCTSBPSEN1PSEN2APH1B
SCHEMBL4576421 0.90 CTSK (0.65) CTSKCTSB
SCHEMBL16984912 0.90 CTSK (0.65) CTSKCTSB
SCHEMBL25977611 0.90 CTSK (0.65) CTSKCTSB
SCHEMBL13519505 0.90 CTSK (0.64) CTSKCTSBPOLBGPR55MEN1
SCHEMBL12214454 0.90 CTSK (0.64) CTSKCTSBPOLBGPR55MEN1

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