SCHEMBL8811005

SCHEMBL8811005

CC(C)CC(NC(=O)OCc1ccc(F)cc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 10/20 0.66
CTSK P43235 7/20 0.54
CTSL P07711 2/20 0.53
CTSS P25774 2/20 0.53
CAPNS1 P04632 2/20 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
SCHEMBL8810998 1.00 CAPN1 (0.66) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8407712 0.91 CAPN1 (0.66) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8407706 0.91 CAPN1 (0.66) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8808875 0.90 CAPN1 (0.56) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8808867 0.90 CAPN1 (0.56) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8404288 0.90 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL3591988 0.90 CAPN1 (0.68) CAPN1CTSKCTSLCTSS
SCHEMBL8809749 0.90 CAPN1 (0.68) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8809740 0.90 CAPN1 (0.68) CAPN1CTSKCTSLCTSSCAPNS1
SCHEMBL8811002 0.83 CAPN1 (0.48) CAPN1CTSKCTSLCTSS

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