SCHEMBL8914531

SCHEMBL8914531

COC(=O)C1=C(OS(C)(=O)=O)C(=O)O[C@@H]1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
FBP1 P09467 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8914503 0.73 CA12 (0.36) HSP90AA1PAX8POLBGAAKMT2A
SCHEMBL8918178 0.73 CA12 (0.36) HSP90AA1PAX8POLBGAAKMT2A
SCHEMBL8915432 0.72 ALDH1A1 (0.36) HSP90AA1PAX8GAAKMT2AALDH1A1
SCHEMBL8916026 0.68 NSD2 (0.40) HSP90AA1PAX8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13598135 0.67 GAA (0.34) GAAKMT2A
SCHEMBL15705491 0.65
SCHEMBL27512581 0.60 KMT2A (0.50) POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL648371 0.59 L3MBTL1 (0.69) POLBGAAKMT2AALDH1A1
SCHEMBL980002 0.57 STS (0.71) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10701200 0.57 MAPT (0.37) POLBGAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625059-A Process for the manufacture of 4-acetoxy-3-hydroxyethyl-azetidinone CIBA-GEIGY CORPORATION (US) 1997-04-29 US disclosed
US-5312914-A Process for the manufacture of 4-acetoxy-3-hydroxyethyl-azetidinone CIBA-GEIGY CORP (US) 1994-05-17 US disclosed
EP-0279781-A2 Process for the preparation of 4-acetoxy-3-hydroxyethyl-acetidinone CIBA-GEIGY AG (CH) 1988-08-24 EP disclosed