SCHEMBL7768447

SCHEMBL7768447

C=CC(C(=O)O)N1CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5768011 0.89 LMNA (0.44) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL4607223 0.74 LMNA (0.41) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL8377810 0.74 LMNA (0.34) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL9186501 0.74 CYP3A4 (0.35) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL8376814 0.74 LMNA (0.34) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL7456031 0.73 CYP1A2 (0.46) CYP3A4CYP2C19LMNAALDH1A1PKM
SCHEMBL17377719 0.72 LMNA (0.45) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL11517863 0.71 CYP3A4 (0.36) CYP3A4CYP2C19CA12CA1CA9
SCHEMBL23886963 0.70 CYP3A4 (0.59) CYP3A4CYP2C19L3MBTL1LMNAALDH1A1
SCHEMBL9831013 0.69 MEN1 (0.42) CYP3A4CYP2C19CA12CA1CA9

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-0546742-B1 4-(1,1-Dialkoxycarbonyl-alkyl)azetidin-2-one derivatives and synthesis of 4-(1-carboxy-alkyl)azetidin-2-one derivatives therefrom TAKASAGO PERFUMERY CO LTD (JP) 2001-06-20 EP disclosed