SCHEMBL8810100

SCHEMBL8810100

CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.51
CTSK P43235 9/20 0.49
CTSL P07711 4/20 0.49
CTSS P25774 3/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
CTSB P07858 1/20 0.46

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
SCHEMBL8810112 1.00 CAPN1 (0.51) CAPN1CTSKCTSLCTSSKLK7
SCHEMBL8812581 0.86 CTSK (0.60) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8812573 0.86 CTSK (0.60) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8404288 0.85 CAPN1 (0.68) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL3591988 0.85 CAPN1 (0.68) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8808396 0.85 CTSK (0.54) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8808408 0.85 CTSK (0.54) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7518855 0.85 CAPN1 (0.52) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL8810223 0.84 CTSL (0.58) CAPN1CTSKCTSLCTSSKLK7
SCHEMBL8810216 0.84 CTSL (0.58) CAPN1CTSKCTSLCTSSKLK7

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
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 EP disclosed