SCHEMBL1442907

SCHEMBL1442907

CCCCCNNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC2 Q92769 5/20 0.49
EPHX1 P07099 6/20 0.48
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CASP2 P42575 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AKR1B1 P15121 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
SCHEMBL13731861 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL27966662 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL27150348 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL2420545 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL21122034 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL9539874 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL28041964 0.98 EPHX1 (0.52) HDAC3HDAC1HDAC2EPHX1HDAC11
SCHEMBL11743177 0.93
SCHEMBL30656129 0.85 EPHX1 (0.48) HDAC3HDAC1HDAC2EPHX1HDAC11
Formic Acid SCHEMBL17064245 0.85 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC11HDAC8

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-1565611-A2 METHOD OF REMOVING PRINTING INK FROM WASTE PAPER BY FLOTATION DEINKING Degussa AG (DE) 2005-08-24 EP claimed
WO-2004048680-A2 METHOD OF REMOVING PRINTING INK FROM WASTE PAPER BY FLOTATION DEINKING DEGUSSA AG (DE) 2004-06-10 WO claimed
CN-110191878-A Bicyclic [1.1.1] pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease 德州大学系统董事会 2019-08-30 CN disclosed
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 EP disclosed
EP-2521727-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES Laboratoires Fournier S.A. (FR) 2012-11-14 EP disclosed
EP-2475642-A1 USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE Laboratoires Fournier S.A. (FR) 2012-07-18 EP disclosed
WO-2011083278-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES LABORATOIRES FOURNIER SA (FR) 2011-07-14 WO disclosed
WO-2011030068-A1 USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE LABORATOIRES FOURNIER SA (FR) 2011-03-17 WO disclosed
US-4401675-A Fungicidal carbazates MONTEDISON S.P.A. (IT) 1983-08-30 US disclosed