SCHEMBL4669389

SCHEMBL4669389

C=CC(=O)C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PDE4A P27815 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9169459 0.84 KDM4E (0.40) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL4669386 0.79 LMNA (0.35) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL28097739 0.78 LMNA (0.34) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL5922693 0.78 LMNA (0.34) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL9235255 0.78 LMNA (0.44) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL468798 0.76 PDE4A (0.50) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL468790 0.76 PDE4A (0.50) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL27182003 0.76 PDE4A (0.50) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL468705 0.76 PDE4A (0.50) LMNAL3MBTL1KDM4EPDE4ATDP1
SCHEMBL11225324 0.76 PDE4A (0.50) LMNAL3MBTL1KDM4EPDE4ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379599-B1 Process for the preparation of molecularly imprinted polymers useful for separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-04-30 US claimed
EP-1699833-B1 OLIGOMERS CONTAINING N-ACETYL GLUCOSAMINE COUNCIL SCIENT IND RES (IN) 2008-09-24 EP disclosed
US-6977285-B2 Oligomers containing N-acetyl glucosamine (NAG) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-12-20 US disclosed
US-20050222326-A1 OLIGOMERS CONTAINING N-ACETYL GLUCOSAMINE (NAG) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2005-10-06 US disclosed
US-6379599-B1 Process for the preparation of molecularly imprinted polymers useful for separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-04-30 US disclosed