SCHEMBL8893181

SCHEMBL8893181

C=CCN1CC(N2C(=O)CCC2=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8909505 0.81 ALDH1A1 (0.33) CYP3A4KMT2AALDH1A1
SCHEMBL8894328 0.76 CASP3 (0.50) CYP3A4KMT2AALDH1A1MAPT
SCHEMBL8892656 0.69
SCHEMBL10509032 0.69 NOTUM (0.32) CYP3A4
SCHEMBL5139880 0.67
SCHEMBL9081577 0.66
SCHEMBL288566 0.65 CYP3A4 (0.46) CYP3A4ALDH1A1MAPTL3MBTL1
SCHEMBL9836861 0.65 CYP3A4 (0.46) CYP3A4KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL8903951 0.65 CYP3A4 (0.46) CYP3A4ALDH1A1MAPTL3MBTL1
SCHEMBL1357740 0.64 HTR1A (0.44) KMT2A

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