SCHEMBL4595045

SCHEMBL4595045

CC(C)(C)N(O)C(=O)Oc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
ALOX5 P09917 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
RIPK1 Q13546 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAO P14920 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
SCHEMBL4594158 0.81 MMP1 (0.44) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL4596139 0.77 ALOX5 (0.47) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL27362639 0.75 ELANE (0.46) MMP1MMP2MMP9MMP12L3MBTL1
SCHEMBL28291847 0.75 BCHE (0.42) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL27286295 0.75 MEN1 (0.55) MMP1MMP2MMP9MMP12L3MBTL1
SCHEMBL27767606 0.72 LMNA (0.47) MMP1MMP2MMP9MMP12L3MBTL1
SCHEMBL541057 0.72
SCHEMBL27276267 0.72 TRPM8 (0.43) MMP1MMP2MMP9MMP12MAPT
SCHEMBL1616681 0.72 MMP1 (0.51) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL22951364 0.72 MMP1 (0.38) MMP1MMP2MMP9MMP12ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 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-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
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed