SCHEMBL11286016

SCHEMBL11286016

CCOC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.57
BACE1 P56817 6/20 0.52
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
CTSD P07339 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50

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
SCHEMBL11286012 1.00 REN (0.57) RENBACE1CTSSCTSLCTSB
SCHEMBL10175603 0.94 CTSS (0.58) RENBACE1CTSSCTSLCTSB
SCHEMBL11282264 0.94 CTSS (0.58) RENBACE1CTSSCTSLCTSB
SCHEMBL11287800 0.91 REN (0.58) RENBACE1CTSSCTSLCTSB
SCHEMBL11287796 0.91 REN (0.58) RENBACE1CTSSCTSLCTSB
SCHEMBL15305530 0.86 REN (0.62) RENCTSSCTSLCTSBCTSK
SCHEMBL28916808 0.85 REN (0.63) RENBACE1CTSSCTSLCTSB
SCHEMBL30279290 0.85 REN (0.63) RENBACE1CTSSCTSLCTSB
SCHEMBL10456411 0.85 CTSS (0.69) CTSSCTSLCTSBCTSK
SCHEMBL10944784 0.85 CTSS (0.69) CTSSCTSLCTSBCTSK

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-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 US disclosed