SCHEMBL4596347

SCHEMBL4596347

CC(C)(C)N(O)C(=O)Oc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
ALOX5 P09917 2/20 0.35
KMT2A Q03164 9/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
RIPK1 Q13546 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4595352 0.81 MMP1 (0.45) MMP1MMP9MMP12ALOX5KMT2A
SCHEMBL4594402 0.77 ALOX5 (0.45) MMP1MMP9MMP12ALOX5KMT2A
SCHEMBL3174800 0.75 MMP1 (0.46) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL28578307 0.72 ELANE (0.46) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL28778171 0.72 MMP1 (0.54) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL1884481 0.72
SCHEMBL7024452 0.72 MMP1 (0.53) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL16196732 0.72 MMP1 (0.53) MMP1MMP9MMP12KMT2AALDH1A1
Water SCHEMBL10938023 0.71 MMP1 (0.53) MMP1MMP9MMP12KMT2AALDH1A1
SCHEMBL28851776 0.71 MMP1 (0.53) MMP1MMP9MMP12KMT2AALDH1A1

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