SCHEMBL4345768

SCHEMBL4345768

CC(C)(C)CC(=O)NC(C)(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
P2RX7 Q99572 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL10187008 0.85 MAPT (0.51) HPGDGAAMAPTRAB9AHTT
SCHEMBL11314458 0.84 P2RX7 (0.46) MAPTP2RX7CYP2C19HIF1AHDAC3
SCHEMBL23343879 0.83 P2RX7 (0.50) HPGDGAAMAPTRAB9AP2RX7
SCHEMBL11326650 0.83 P2RX7 (0.45) HPGDGAAMAPTRAB9AP2RX7
SCHEMBL9615133 0.83 P2RX7 (0.45) HPGDGAAMAPTRAB9AP2RX7
SCHEMBL11225292 0.82 P2RX7 (0.47) GAAP2RX7HTTCYP2C19HIF1A
SCHEMBL9360320 0.80 P2RX7 (0.55) HPGDGAAP2RX7SMN1; SMN2HDAC6
SCHEMBL1829561 0.80 ALOX5 (0.50) HPGDGAAMAPTRAB9AP2RX7
SCHEMBL10340461 0.80 CYP1A2 (0.50) MAPTP2RX7CYP2C19HIF1AHDAC3
SCHEMBL10890502 0.79 KMT2A (0.53) HPGDMAPTRAB9AP2RX7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP claimed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO claimed
CN-1589101-A Herbicides containing substituted thien-3-ylsulfonylamino (thio) carbonyltriazolin (thi) one compounds BAYER CROPSCIENCE GMBH (DE) 2005-03-02 CN claimed
CN-1487789-A Selective herbicides based on 2, 6-disubstituted pyridine derivatives 2004-04-07 CN claimed
JP-55066555-A None JP disclosed
CN-102282567-A Security countermeasure function evaluation program 2011-12-14 CN disclosed
EP-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP disclosed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO disclosed
CN-1278607-C Selective herbicides based on 2, 6-disubstituted pyridine derivatives BAYER AG (DE) 2006-10-11 CN disclosed
CN-1768582-A Selective herbicides based on 2,6-disubstituted pyridine derivatives BAYER AG (DE) 2006-05-10 CN disclosed
CN-1589101-A Herbicides containing substituted thien-3-ylsulfonylamino (thio) carbonyltriazolin (thi) one compounds BAYER CROPSCIENCE GMBH (DE) 2005-03-02 CN disclosed
CN-1487789-A Selective herbicides based on 2, 6-disubstituted pyridine derivatives 2004-04-07 CN disclosed
CN-1140176-C Selective herbicides based on arylsulphonylaminocarbonyltriazolinones 2004-03-03 CN disclosed
CN-1238663-A Selective herbicides based on arylsulphonylaminocarbonyltriazolinones BAYER AG (DE) 1999-12-15 CN disclosed
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 EP disclosed
US-4274862-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-23 US disclosed
JP-S5566555-A N-BENZYL-ACETAMIDE DERIVATIVE, ITS PREPARATION AND WEED KILLER CONTAINING IT AS EFFECTIVE COMPONENT SUMITOMO CHEM CO LTD 1980-05-20 JP disclosed