SCHEMBL9526206

SCHEMBL9526206

C=CCOC(=O)NCC1=C(OC(=O)OCC=C)N2C(=O)[C@H]([C@@H](C)OC(=O)OCC=C)[C@H]2S1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.33
FAAH O00519 3/20 0.33
ELANE P08246 1/20 0.31

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
SCHEMBL9525141 0.91 CASP1 (0.34) CASP1FAAHELANE
SCHEMBL8799191 0.88 ELANE (0.32) FAAHELANE
SCHEMBL10694393 0.86 ELANE (0.40) CASP1FAAHELANE
SCHEMBL9526462 0.85
SCHEMBL9526714 0.85 GAA (0.31)
SCHEMBL9595347 0.81 CASP1 (0.38) CASP1FAAHELANE
SCHEMBL8800467 0.77
SCHEMBL9411013 0.77
SCHEMBL10418978 0.76 ELANE (0.41) CASP1FAAHELANE
SCHEMBL8798885 0.76 ELANE (0.42) FAAHELANE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181831-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ACYLOXYAZETIDINONES CIBA-GEIGY AG (CH) 1993-08-25 EP disclosed
EP-0181831-A2 Process for the preparation of optically active acyloxyazetidinones CIBA-GEIGY AG (CH) 1986-05-21 EP disclosed