SCHEMBL7209074

SCHEMBL7209074

CC(C)(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
RIPK1 Q13546 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL913291 0.83 POLB (0.34) POLBALDH1A1TSHRCA12CA1
SCHEMBL3132415 0.79 CA12 (0.34) POLBALDH1A1TSHRCA12CA1
SCHEMBL43721 0.78 POLB (0.32) POLB
SCHEMBL9285475 0.78 POLB (0.32) POLB
SCHEMBL7431766 0.76 POLB (0.31) POLB
Ethylene Glycol SCHEMBL3801456 0.76 POLB (0.31) POLB
SCHEMBL3938392 0.76 RIPK1 (0.34) POLBCA12CA1CA9RIPK1
SCHEMBL16875688 0.75 CA12 (0.33) CA12CA1CA9
SCHEMBL230240 0.75 CA12 (0.33) CA12CA1CA9
SCHEMBL454927 0.74 ALDH1A1 (0.31) POLBALDH1A1L3MBTL1

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-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 US disclosed
US-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 US disclosed
EP-0724647-A4 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME GILEAD SCIENCES INC (US) 2003-09-17 EP disclosed
EP-0724647-A1 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME NeXstar Pharmaceuticals, Inc. (US) 1996-08-07 EP disclosed
WO-1995007364-A1 NUCLEIC ACID LIGANDS AND IMPROVED METHODS FOR PRODUCING THE SAME NEXSTAR PHARMACEUTICALS, INC. (US) 1995-03-16 WO disclosed