SCHEMBL7142220

SCHEMBL7142220

O=C1OC(=O)c2c1cccc(=O)c2O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
DBH P09172 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ALOX15 P16050 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
TYMS P04818 4/20 0.43
MAOA P21397 4/20 0.39
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.37

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
SCHEMBL7139576 0.83 DBH (0.45) HDAC4HDAC2HDAC8DBHHDAC6
SCHEMBL29568960 0.78 MAOA (0.58) ALOX15TDP1TYMSMAOAMAPT
SCHEMBL382951 0.78 MAOA (0.58) ALOX15TDP1TYMSMAOAMAPT
SCHEMBL8693513 0.78 MAOA (0.53) DBHALOX15TDP1MAOAMAPT
SCHEMBL31548711 0.77 TDP1 (0.60) ALOX15TDP1TYMSMAOAMAPT
SCHEMBL2087097 0.77 TDP1 (0.60) ALOX15TDP1TYMSMAOAMAPT
SCHEMBL21101011 0.75 ALOX15 (0.41) HDAC4HDAC2HDAC8DBHHDAC6
SCHEMBL9751985 0.73 ELANE (0.55) ALOX15TDP1MAOAMAPTHPGD
SCHEMBL166198 0.71 ALOX15 (0.52) ALOX15TDP1TYMSHPGDALDH1A1
SCHEMBL308375 0.71 TDP1 (0.52) HDAC4HDAC2HDAC8HDAC6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828483-B1 USE OF TROPOLONE DERIVATIVES AS INHIBITORS OF THE ENZYME INOSITOL MONOPHOSPHATASE LEPETIT SPA (IT) 2003-01-29 EP disclosed
US-5990160-A Use of tropolone derivatives as inhibitors of the enzyme inositol monophosphatase GRUPPO LEPETIT, SPA (IT) 1999-11-23 US disclosed
EP-0828483-A1 USE OF TROPOLONE DERIVATIVES AS INHIBITORS OF THE ENZYME INOSITOL MONOPHOSPHATASE GRUPPO LEPETIT S.p.A. (IT) 1998-03-18 EP disclosed
WO-1996037197-A1 USE OF TROPOLONE DERIVATIVES AS INHIBITORS OF THE ENZYME INOSITOL MONOPHOSPHATASE GRUPPO LEPETIT S.P.A. (IT) 1996-11-28 WO disclosed