SCHEMBL8809707

SCHEMBL8809707

COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 18/20 0.65
CAPNS1 P04632 6/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8809724 1.00 CAPN1 (0.65) CAPN1CAPNS1MEN1KMT2A
SCHEMBL8807260 0.88 CAPN1 (0.64) CAPN1CAPNS1
SCHEMBL8812437 0.85 CAPN1 (0.73) CAPN1CAPNS1
SCHEMBL8812422 0.85 CAPN1 (0.73) CAPN1CAPNS1
SCHEMBL8809717 0.84 TP53 (0.50) CAPN1MEN1KMT2A
SCHEMBL8810028 0.84 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8810048 0.84 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8810948 0.83 CAPN1 (0.61) CAPN1CAPNS1
SCHEMBL8810930 0.83 CAPN1 (0.61) CAPN1CAPNS1
SCHEMBL8808004 0.79 CAPN1 (0.69) 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