SCHEMBL8845083

SCHEMBL8845083

Cc1ccc(NC(=O)C(C)(C)C)c(B(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
CETP P11597 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HPGD P15428 1/20 0.42
LIPE Q05469 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3790539 0.83 L3MBTL1 (0.58) ALDH1A1L3MBTL1LMNACETPMEN1
SCHEMBL383653 0.82 MEN1 (0.50) ALDH1A1L3MBTL1LMNACETPPDK1
SCHEMBL15279714 0.81 KMT2A (0.47) ALDH1A1LMNAHPGDLIPEMEN1
SCHEMBL15428010 0.79 SRC (0.44) ALDH1A1L3MBTL1LMNACETPPDK1
SCHEMBL7145918 0.78 L3MBTL1 (0.46) ALDH1A1L3MBTL1LMNACETPPDK1
SCHEMBL383919 0.77 CETP (0.59) ALDH1A1L3MBTL1LMNACETPPDK1
SCHEMBL29469256 0.77 CETP (0.59) ALDH1A1L3MBTL1LMNACETPPDK1
SCHEMBL15427919 0.75 PDK1 (0.44) ALDH1A1L3MBTL1LMNACETPPDK1
SCHEMBL15946914 0.75 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPDK1PDK2
SCHEMBL12900892 0.75 PDK1 (0.70) ALDH1A1L3MBTL1LMNACETPPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633218-A CONTROLLING WEEDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-27 US disclosed
US-5631206-A Herbicidal heteroaryl substituted anilides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-20 US disclosed
WO-1996031517-A1 HERBICIDAL HETEROARYL-SUBSTITUTED ANILIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-10 WO disclosed
EP-0722441-A1 HERBICIDAL HETEROARYL SUBSTITUTED ANILIDES E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1996-07-24 EP disclosed
WO-1995009846-A1 HERBICIDAL HETEROARYL SUBSTITUTED ANILIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-04-13 WO disclosed