SCHEMBL8807979

SCHEMBL8807979

CC(C)C[C@H](CN[C@H]1CCOC1O)NC(=O)OCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
CAPN1 P07384 15/20 0.37
CTSS P25774 1/20 0.33
CAPNS1 P04632 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8807756 0.87 ACACB (0.36) CAPN1
SCHEMBL8811209 0.86 LMNA (0.39) CAPN1
SCHEMBL8810844 0.85 SMN1; SMN2 (0.39) CAPN1CAPNS1SMN1; SMN2
SCHEMBL8406532 0.84 EPHX1 (0.38) CAPN1CAPNS1
SCHEMBL8807293 0.84 CAPN1 (0.42) CAPN1CAPNS1
SCHEMBL8807983 0.82 CTSK (0.56) CTSKCAPN1CAPNS1
SCHEMBL8807975 0.82 CTSK (0.56) CTSKCAPN1CAPNS1
SCHEMBL8809624 0.80 CTSL (0.40) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL8407590 0.80 EPHX1 (0.37) CAPN1SMN1; SMN2
SCHEMBL8408073 0.80 EPHX1 (0.37) CAPN1SMN1; SMN2

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