SCHEMBL8810048

SCHEMBL8810048

COc1cc(OC)cc(C(=O)NC(CC(C)C)C(=O)N[C@H]2CCOC2O)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 19/20 0.65
CAPNS1 P04632 7/20 0.56
CASP1 P29466 1/20 0.48
CASP3 P42574 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
SCHEMBL8810028 1.00 CAPN1 (0.65) CAPN1CAPNS1CASP1CASP3
SCHEMBL8812437 0.90 CAPN1 (0.73) CAPN1CAPNS1CASP1CASP3
SCHEMBL8812422 0.90 CAPN1 (0.73) CAPN1CAPNS1CASP1CASP3
SCHEMBL8809724 0.84 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8809707 0.84 CAPN1 (0.65) CAPN1CAPNS1
SCHEMBL8809577 0.83 CAPN1 (0.71) CAPN1CAPNS1CASP1CASP3
SCHEMBL8809563 0.83 CAPN1 (0.71) CAPN1CAPNS1CASP1CASP3
SCHEMBL8810037 0.82 CAPN1 (0.46) CAPN1CAPNS1
SCHEMBL8408034 0.82 CAPN1 (0.71) CAPN1CAPNS1CASP1CASP3
SCHEMBL8408028 0.82 CAPN1 (0.71) CAPN1CAPNS1CASP1CASP3

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