SCHEMBL4595558

SCHEMBL4595558

O=C(Oc1ccco1)N(O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3285958 0.74 ALDH1A1 (0.53) ALDH1A1HPGDTDP1MAPTTSHR
SCHEMBL4595352 0.73 MMP1 (0.45) ALDH1A1HPGDMMP1MMP9MMP12
SCHEMBL4594986 0.71 ALDH1A1 (0.39) ALDH1A1HPGDMMP1MMP9MMP12
SCHEMBL27524024 0.69 MMP1 (0.45) ALDH1A1MMP1MMP9MMP12TDP1
SCHEMBL4594402 0.69 ALOX5 (0.45) ALDH1A1MMP1MMP9MMP12TDP1
SCHEMBL4596347 0.69 MMP1 (0.42) ALDH1A1HPGDMMP1MMP9MMP12
SCHEMBL16196732 0.67 MMP1 (0.53) ALDH1A1MMP1MMP9MMP12TDP1
SCHEMBL7024452 0.67 MMP1 (0.53) ALDH1A1MMP1MMP9MMP12TDP1
SCHEMBL5166336 0.66
SCHEMBL1039374 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998055489-A1 MULTI-CONSTITUENT SYSTEM FOR MODIFYING, DEGRADING OR BLEACHING LIGNIN, MATERIALS CONTAINING LIGNIN OR SIMILAR SUBSTANCES, AND METHOD FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-12-10 WO claimed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
EP-1685183-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2006-08-02 EP disclosed
EP-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 EP disclosed
WO-2005049697-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2005-06-02 WO disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 WO disclosed
EP-0882814-B1 System and process for the electrochemical cleavage of compounds CONSORTIUM ELEKTROCHEM IND (DE) 2002-10-23 EP disclosed
EP-0913382-B1 Process for the preparation of aldehydes and ketones CONSORTIUM ELEKTROCHEM IND (DE) 2000-11-08 EP disclosed
EP-0913382-A1 Process for the preparation of aldehydes and ketones Consortium für elektrochemische Industrie GmbH (DE) 1999-05-06 EP disclosed
EP-0905306-A1 Multicomponent system for modifying, decomposing or bleaching lignin or lignin-containing materials and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1999-03-31 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
WO-1998055489-A1 MULTI-CONSTITUENT SYSTEM FOR MODIFYING, DEGRADING OR BLEACHING LIGNIN, MATERIALS CONTAINING LIGNIN OR SIMILAR SUBSTANCES, AND METHOD FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-12-10 WO disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed