SCHEMBL4594986

SCHEMBL4594986

O=C(Oc1cccs1)N(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL27472687 0.82 L3MBTL1 (0.48) ALDH1A1RAB9ATSHRMEN1KMT2A
SCHEMBL8203929 0.75 POLB (0.49) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL3278798 0.74 RAB9A (0.53) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL8319487 0.73 KMT2A (0.55) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL8198206 0.73 KMT2A (0.50) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL4594158 0.73 MMP1 (0.44) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL28194803 0.72 HPGD (0.44) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL4595558 0.71 ALDH1A1 (0.39) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL28291847 0.70 BCHE (0.42) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL27318954 0.69 SMN1; SMN2 (0.44) ALDH1A1RAB9AMEN1KMT2ANPC1

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