SCHEMBL3285069

SCHEMBL3285069

CCC(=O)N(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
Benzoic Acid SCHEMBL29000567 0.91 TSHR (0.50) ALDH1A1GLATSHRTP53CTDSP1
SCHEMBL27829156 0.83 TP53 (0.65) ALDH1A1GLATSHRTP53CTDSP1
SCHEMBL7985994 0.82 ALDH1A1 (0.48) ALDH1A1GLATSHRTP53CTDSP1
SCHEMBL836988 0.80 TP53 (0.51) ALDH1A1GLATSHRTP53NPC1
SCHEMBL8619637 0.80 ALDH1A1 (0.52) ALDH1A1GLATSHRTP53NPSR1
SCHEMBL2781437 0.80 ALDH1A1 (0.63) ALDH1A1GLATSHRTP53NPSR1
SCHEMBL6555681 0.80 ALDH1A1 (0.47) ALDH1A1GLATSHRTP53CTDSP1
SCHEMBL3279075 0.79 MTNR1A (0.44) ALDH1A1GLATSHRTP53CTDSP1
SCHEMBL3278936 0.79 MEN1 (0.49) ALDH1A1TP53NPSR1KMT2ANPC1
SCHEMBL10837254 0.78 ALDH1A1 (0.67) ALDH1A1GLATP53NPSR1KMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104818623-A Flax short fiber pre-treatment method UNIV QIQIHAR 2015-08-05 CN claimed
EP-0825294-B2 Multicomponent system for modifying, decomposing or bleaching lignin, or lignin-containing materials and method of using this system CONSORTIUM ELEKTROCHEM IND (DE) 2005-02-09 EP claimed
US-20010018956-A1 Multi-component system for modifying, degrading or bleaching lignin, lignin-containing materials or similar substances and processes for its use CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2001-09-06 US claimed
EP-0983334-A1 ENZYMATIC BLEACHING SYSTEM CONTAINING NEW COMPOUNDS FOR INTENSIFYING ENZYMATIC ACTION Call, Krimhild (DE) 2000-03-08 EP claimed
EP-0825294-B1 Multicomponent system for modifying, decomposing or bleaching lignin, or lignin-containing materials and method of using this system CONSORTIUM ELEKTROCHEM IND (DE) 1999-09-15 EP claimed
WO-1998051772-A1 ENZYMATIC BLEACHING SYSTEM CONTAINING NEW COMPOUNDS FOR INTENSIFYING ENZYMATIC ACTION CALL, KRIMHILD (DE) 1998-11-19 WO claimed
EP-0825294-A1 Multicomponent system for modifying, decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1998-02-25 EP claimed
CN-104818623-A Flax short fiber pre-treatment method UNIV QIQIHAR 2015-08-05 CN disclosed
CN-104818623-A Flax short fiber pre-treatment method UNIV QIQIHAR 2015-08-05 CN disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US 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
WO-1999001607-A2 ENZYMATIC OXIDATION SYSTEM WITH NOVEL ENZYMATIC-EFFECT ENHANCING COMPOUNDS CALL, KRIMHILD (DE) 1999-01-14 WO 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
WO-1998051772-A1 ENZYMATIC BLEACHING SYSTEM CONTAINING NEW COMPOUNDS FOR INTENSIFYING ENZYMATIC ACTION CALL, KRIMHILD (DE) 1998-11-19 WO disclosed
EP-0825294-A1 Multicomponent system for modifying, decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1998-02-25 EP disclosed