SCHEMBL5532173

SCHEMBL5532173

CC12CCC(C(=O)N3CCc4onc(OC(=O)O)c4C3)(OC1=O)C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.34
PTBP1 P26599 1/20 0.34

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
SCHEMBL4270004 0.85 POLB (0.53) POLBGAAALDH1A1HTTNPSR1
SCHEMBL3455531 0.69 GAA (0.60) POLBGAAALDH1A1HTTNPSR1
SCHEMBL12204828 0.66 POLB (0.74) POLBGAAALDH1A1HTTNPSR1
SCHEMBL5527334 0.66 HPGD (0.46) POLBGAAALDH1A1LMNAKMT2A
SCHEMBL11115776 0.65 CHRM3 (0.60) HTTLMNAMEN1KMT2A
SCHEMBL15300410 0.65 ALDH1A1 (0.47) POLBALDH1A1HTTNPSR1LMNA
SCHEMBL15300348 0.65 HPGD (0.48) ALDH1A1LMNA
SCHEMBL5533664 0.63 CHRM3 (0.45) LMNA
SCHEMBL5575317 0.63 POLB (0.59) POLBGAAALDH1A1HTTNPSR1
SCHEMBL3192032 0.63 POLB (0.59) POLBGAAALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP claimed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO disclosed