SCHEMBL27428996

SCHEMBL27428996

CC(=O)OC1OCCC1NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.59
CAPNS1 P04632 1/20 0.58
CTSK P43235 12/20 0.49
CTSL P07711 4/20 0.49
CTSS P25774 4/20 0.49
CTSB P07858 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
SCHEMBL7514155 1.00 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL27428998 1.00 CAPN1 (0.59) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7514549 0.89 CAPN1 (0.63) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL3577128 0.89 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7514109 0.89 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8406499 0.89 CTSK (0.62) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7525753 0.87 CTSK (0.61) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL7515987 0.83 CTSK (0.61) CTSKCTSLCTSSCTSB
SCHEMBL7514161 0.82 CAPN1 (0.57) CAPN1CAPNS1CTSKCTSLCTSS
SCHEMBL8810074 0.82 CAPN1 (0.66) CAPN1CAPNS1CTSKCTSS

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
CN-1106001-A Lactol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-02 CN disclosed