SCHEMBL8909505

SCHEMBL8909505

C=CCN1CC(N2C(=O)C=CC2=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8893181 0.81 CYP3A4 (0.33) ALDH1A1CYP3A4KMT2A
SCHEMBL8894328 0.78 CASP3 (0.50) ALDH1A1CASP3CYP3A4KMT2A
SCHEMBL8892656 0.68
SCHEMBL8412790 0.64
SCHEMBL88581 0.64 CASP3 (0.48) ALDH1A1CASP3CYP3A4
SCHEMBL11605586 0.62 CYP3A4 (0.32) ALDH1A1CYP3A4
SCHEMBL9736111 0.62 CYP3A4 (0.32) ALDH1A1CYP3A4
SCHEMBL22700996 0.61 CHRM2 (0.39) ALDH1A1KMT2A
SCHEMBL11533567 0.61
SCHEMBL5139880 0.61

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
WO-1997042170-A1 A PROCESS FOR THE PREPARATION OF AZETIDINONES BIOCHIMICA OPOS S.P.A. (IT) 1997-11-13 WO disclosed