SCHEMBL6548967

SCHEMBL6548967

CC1CCN(CC(=O)O)C1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.59
PIK3CD O00329 1/20 0.55
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
PER2 O15055 5/20 0.41
LMNA P02545 1/20 0.38
CRY2 Q49AN0 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15368463 0.89 ACE (0.61) ACEPIK3CDCHRM2CHRM4CHRM5
SCHEMBL12893384 0.89 ACE (0.61) ACEPIK3CDCHRM2CHRM4CHRM5
SCHEMBL5312378 0.85 PIK3CD (0.55) ACEPIK3CDCHRM2CHRM4CHRM5
SCHEMBL3715423 0.83 PIK3CD (0.53) ACEPIK3CDCHRM2CHRM4CHRM5
SCHEMBL24879759 0.80 PIK3CD (0.50) ACEPIK3CDCHRM2CHRM4CHRM5
SCHEMBL6628684 0.80 PIK3CD (0.50) ACEPIK3CDCHRM2CHRM4CHRM5
SCHEMBL31443583 0.79
SCHEMBL9789687 0.78 ACE (0.61) ACEPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL9789659 0.78 ACE (0.61) ACEPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL9789660 0.78 ACE (0.61) ACEPOLBCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094895-B1 DOUBLE METAL CYANIDE CATALYSTS CONTAINING CYCLIC, BIDENTATE COMPLEXING AGENTS BAYER ANTWERPEN NV (BE) 2004-02-04 EP claimed
EP-1094895-A1 DOUBLE METAL CYANIDE CATALYSTS CONTAINING CYCLIC, BIDENTATE COMPLEXING AGENTS BAYER ANTWERPEN N.V. (BE) 2001-05-02 EP claimed
US-6013596-A A POLYETHER POLYMERIZATION CATALYST CONSISTS OF A DOUBLE METAL CYANIDE COMPOUND, AN ORGANIC COMPLEXING AGENT COMPRISING C3-C5 ALIPHATIC ALCOHOL AND CYCLIC, BIDENTATE LACTAM OR LACTONE COMPOUND ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2000-01-11 US claimed
WO-1999059719-A1 DOUBLE METAL CYANIDE CATALYSTS CONTAINING CYCLIC, BIDENTATE COMPLEXING AGENTS BAYER ANTWERPEN N.V. (BE) 1999-11-25 WO claimed
WO-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed
WO-2017172476-A1 POTENT INHIBITORS OF ASPARTATE N-ACETYL-TRANSFERASE FOR THE TREATMENT OF CANAVAN DISEASE THE UNIVERSITY OF TOLEDO (US) 2017-10-05 WO disclosed
EP-1094895-B1 DOUBLE METAL CYANIDE CATALYSTS CONTAINING CYCLIC, BIDENTATE COMPLEXING AGENTS BAYER ANTWERPEN NV (BE) 2004-02-04 EP disclosed
EP-1094895-A1 DOUBLE METAL CYANIDE CATALYSTS CONTAINING CYCLIC, BIDENTATE COMPLEXING AGENTS BAYER ANTWERPEN N.V. (BE) 2001-05-02 EP disclosed
US-6013596-A A POLYETHER POLYMERIZATION CATALYST CONSISTS OF A DOUBLE METAL CYANIDE COMPOUND, AN ORGANIC COMPLEXING AGENT COMPRISING C3-C5 ALIPHATIC ALCOHOL AND CYCLIC, BIDENTATE LACTAM OR LACTONE COMPOUND ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2000-01-11 US disclosed
WO-1999059719-A1 DOUBLE METAL CYANIDE CATALYSTS CONTAINING CYCLIC, BIDENTATE COMPLEXING AGENTS BAYER ANTWERPEN N.V. (BE) 1999-11-25 WO disclosed