SCHEMBL8809091

SCHEMBL8809091

CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 0.69
CAPNS1 P04632 8/20 0.69

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
SCHEMBL8809102 1.00 CAPN1 (0.69) CAPN1CAPNS1
SCHEMBL8810989 0.84 CAPN1 (0.75) CAPN1CAPNS1
SCHEMBL8809563 0.83 CAPN1 (0.71) CAPN1CAPNS1
SCHEMBL8809577 0.83 CAPN1 (0.71) CAPN1CAPNS1
SCHEMBL7515349 0.83 CAPN1 (0.61) CAPN1CAPNS1
SCHEMBL3591988 0.83 CAPN1 (0.68) CAPN1
SCHEMBL8810351 0.83 CASP3 (0.71) CAPN1CAPNS1
SCHEMBL8404288 0.83 CAPN1 (0.68) CAPN1
SCHEMBL8809095 0.82 CAPN1 (0.50) CAPN1CAPNS1
SCHEMBL4622725 0.82 CAPN1 (1.00) CAPN1CAPNS1

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